SCHEMBL331534

SCHEMBL331534

Cn1ncc2c(N)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PARP1 P09874 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ BPTF Q12830 2/20 0.38
▸ TBXAS1 P24557 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
SCHEMBL23231062 0.80 BRD4 (0.43) HPGDLMNAMAPK1HTTTBXAS1
SCHEMBL31364631 0.79 HPGD (0.41) ATMHPGDALDH1A1HSD17B10PARP1
SCHEMBL16131514 0.79 HPGD (0.44) KMT2AHPGDALDH1A1LMNAMAPK1
SCHEMBL23231094 0.79 HPGD (0.41) MEN1KMT2AATMHPGDALDH1A1
SCHEMBL24207796 0.77 ALDH1A1 (0.39) KEAP1MEN1USP2KMT2AATM
SCHEMBL23231095 0.76 ALDH1A1 (0.54) KMT2AATMHPGDALDH1A1HSD17B10
SCHEMBL31364630 0.76 HTT (0.43) MEN1KMT2AATMHPGDALDH1A1
SCHEMBL24207479 0.76 BPTF (0.36) KEAP1MEN1USP2KMT2AATM
SCHEMBL619809 0.76 MKNK1 (0.43) KEAP1MEN1USP2KMT2AATM
SCHEMBL30006645 0.76 MKNK1 (0.43) KEAP1MEN1USP2KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 — — US disclosed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 — — US disclosed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 — — WO disclosed
US-8173676-B2 Benzyl, amines, a process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-05-08 — — US disclosed
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
EP-1994005-B9 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2012-01-11 — — EP disclosed
EP-2041069-B1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2011-11-30 — — EP disclosed
US-7999108-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2011-08-16 — — US disclosed
EP-1994005-B1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 — — EP disclosed
US-7880042-B2 antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction BAYER SCHERING PHARMA AG (DE) 2011-02-01 — — US 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 (7 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 KEAP1 308/4885MEN1 4085/4885USP2 3087/4885
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents IL1B, TNF, NFKBIA KEAP1 481/4885MEN1 3829/4885USP2 2694/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES KEAP1 389/4885MEN1 4050/4885USP2 2993/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B KEAP1 574/4885MEN1 1664/4885USP2 3596/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 KEAP1 1709/4885MEN1 4337/4885USP2 2031/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES KEAP1 441/4885MEN1 2555/4885USP2 3427/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES KEAP1 389/4885MEN1 4050/4885USP2 2993/4885

“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.

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