SCHEMBL6961100

SCHEMBL6961100

CCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
AGTR1 P30556 4/20 0.38
AGTR2 P50052 4/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NISCH Q9Y2I1 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
SCHEMBL6953051 0.92 HSD11B1 (0.47) NPC1RAB9AAGTR1AGTR2
SCHEMBL6957300 0.89 HSD11B1 (0.47) NPC1MAPTRAB9AAGTR1AGTR2
SCHEMBL6949197 0.89 HSD11B1 (0.47) NPC1MAPTRAB9AAGTR1AGTR2
SCHEMBL6955822 0.88 TP53 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL6956494 0.87 TDP1 (0.40)
SCHEMBL6961815 0.85 TDP1 (0.39) AGTR1AGTR2
SCHEMBL6962359 0.85 MAOB (0.50)
SCHEMBL9709552 0.85 IAPP (0.40) AGTR1AGTR2
SCHEMBL8524519 0.85 HSD11B1 (0.43) MAPTRAB9AAGTR1
SCHEMBL6956454 0.85 GP6 (0.41) AGTR1AGTR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828343-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-28 US disclosed
US-20170298025-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-19 US disclosed
US-20160347714-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2016-12-01 US disclosed
US-20150119397-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-30 US disclosed
US-8952151-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-02-10 US disclosed
US-20140213591-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-31 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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 (4 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-20160347714-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NPC1 4631/4885MAPT 2866/4885RAB9A 3032/4885
US-20170298025-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NPC1 4631/4885MAPT 2866/4885RAB9A 3032/4885
US-20150119397-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NPC1 4631/4885MAPT 2866/4885RAB9A 3032/4885
US-20140213591-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NPC1 4631/4885MAPT 2866/4885RAB9A 3032/4885

“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.