SCHEMBL8610906

SCHEMBL8610906

NC(=O)c1ccccc1-n1ccc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 3/20 0.45
TRAP1 Q12931 2/20 0.45
HSP90AB1 P08238 1/20 0.45
HSP90B1 P14625 1/20 0.45
LMNA P02545 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44

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
SCHEMBL30637639 1.00 NPC1 (0.46) NPC1HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL30928942 1.00 NPC1 (0.46) NPC1HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL28436731 0.85 L3MBTL1 (0.56) HSP90AA1TRAP1HSP90AB1HSP90B1PRKD3
SCHEMBL15055383 0.83 PLAU (0.43) HSP90AA1TRAP1HSP90AB1HSP90B1LMNA
SCHEMBL154462 0.83 NOTUM (0.50) HSP90AA1TRAP1HSP90AB1HSP90B1LMNA
SCHEMBL7854463 0.83 PARP1 (0.41) HSP90AA1TRAP1HSP90AB1HSP90B1LMNA
SCHEMBL31125883 0.82 MAPT (0.48) KDM4EMAPTCDC7CDK2
SCHEMBL27747424 0.82 CA12 (0.47) NPC1HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL6840290 0.81 RXRA (0.49) NPC1LMNAKDM4EGAAALDH1A1
SCHEMBL152899 0.81 HSP90AA1 (0.50) HSP90AA1TRAP1HSP90AB1HSP90B1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931065-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1999-07-28 EP claimed
WO-1998009948-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1998-03-12 WO claimed
US-10730856-B2 Benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-04 US disclosed
WO-2019038156-A1 USE OF AN EP4 ANTAGONIST FOR THE TREATMENT OF ARTHRITIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-28 WO disclosed
WO-2018162562-A1 USE OF AN EP4 ANTAGONIST FOR THE TREATMENT OF INFLAMMATORY PAIN BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 WO disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
CN-104379579-B Pyrrolidin derivatives and its purposes as complement pathway regulator 诺华股份有限公司 2017-03-08 CN disclosed
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
CN-105188663-A Topical aqueous ophthalmic compositions containing a 1H-indole-1-carboxamide derivative and use thereof for treatment of ophthalmic disease NOVARTIS AG 2015-12-23 CN 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 (3 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-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 NPC1 1969/4885HSP90AA1 2165/4885TRAP1 4001/4885
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, EPB41 NPC1 1558/4885HSP90AA1 2075/4885TRAP1 3850/4885
US-10730856-B2 Benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, PTGER2 NPC1 1816/4885HSP90AA1 2306/4885TRAP1 4225/4885

“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.