SCHEMBL331390

SCHEMBL331390

O=C1N=NCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.46
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTPRC P08575 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9194546 0.74 S100A4 (0.46) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL8979627 0.73 S100A4 (0.61) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL15775233 0.72 MAPT (0.43) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL166701 0.70 MAPT (0.56) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL8499259 0.70 MAPT (0.66) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL35211484 0.70 MAPT (0.56) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL15775583 0.69 TDP1 (0.49) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL4573599 0.68 MAPT (0.53) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL768880 0.68 MAPT (0.53) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL332607 0.68 POLB (0.53) S100A4MAPTRECQLKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096143-A Process for producing phthalazinone and derivatives of the same FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US claimed
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
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
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
US-4237215-A DECOMPOSING N-HALO COMPOUND IN PRESENCE OF ORGANIC SILVER SALT TO PRODUCE SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-12-02 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4125403-A ORGANIC SILVER SALT, SILVER HALIDE, REDUCING AGENT, PHTHALAZINONE, AND A BENZOXAZINEDIONE OR QUINAZOLINEDIONE FUJI PHOTO FILM CO., LTD. 1978-11-14 US disclosed
US-4096143-A Process for producing phthalazinone and derivatives of the same FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US disclosed
US-4076534-A Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US 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 (5 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-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B S100A4 891/4885MAPT 1199/4885RECQL 4388/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B S100A4 891/4885MAPT 1199/4885RECQL 4388/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES S100A4 988/4885MAPT 672/4885RECQL 4438/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 S100A4 1185/4885MAPT 3214/4885RECQL 3376/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES S100A4 988/4885MAPT 672/4885RECQL 4438/4885

“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.