SCHEMBL331624

SCHEMBL331624

O=C1OC(Br)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.47
GPR35 Q9HC97 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PTPRC P08575 1/20 0.44
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
DNMT3B Q9UBC3 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CSNK2A2 P19784 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1398203 0.83 S100A4 (0.47) S100A4GPR35CA1CA2CA7
SCHEMBL5421727 0.76 S100A4 (0.44) S100A4GPR35CA1CA2CA7
SCHEMBL23914619 0.73 CA1 (0.39) CA1CA2CA7CA9KMT2A
SCHEMBL86920 0.72 SMARCA2 (0.36) KMT2AMAPTALDH1A1MEN1
SCHEMBL26125671 0.72 ALDH1A1 (0.38) CA1CA2CA7CA9KMT2A
SCHEMBL4065591 0.70 S100A4 (0.44) S100A4GPR35CA1CA2CA7
SCHEMBL21903887 0.69 S100A4 (0.46) S100A4GPR35CA1CA2CA7
SCHEMBL23797113 0.69 S100A4 (0.46) S100A4GPR35CA1CA2CA7
SCHEMBL30095404 0.69 ALDH1A1 (0.51) S100A4CA1CA2CA7CA9
SCHEMBL4702204 0.69 ALDH1A1 (0.51) S100A4CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-7442794-B2 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-10-28 US disclosed
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 US disclosed
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
CN-101087780-A Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs BAYER SCHERING PHARMA AG (DE) 2007-12-12 CN disclosed
EP-1861379-A1 TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 S100A4 945/4885GPR35 2192/4885CA1 4727/4885
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B S100A4 891/4885GPR35 2847/4885CA1 4631/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B S100A4 891/4885GPR35 2847/4885CA1 4631/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES S100A4 988/4885GPR35 3043/4885CA1 4685/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B S100A4 891/4885GPR35 2847/4885CA1 4631/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 S100A4 1185/4885GPR35 1250/4885CA1 4034/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES S100A4 849/4885GPR35 2297/4885CA1 4666/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES S100A4 988/4885GPR35 3043/4885CA1 4685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.