SCHEMBL938487

SCHEMBL938487

CNCc1nc2c(C(=O)OC)cccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
PARP1 P09874 1/20 0.42
RIPK1 Q13546 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CB P42338 1/20 0.40
NR4A2 P43354 3/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
POLB P06746 1/20 0.38
MYC P01106 1/20 0.38
PTGER4 P35408 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29784480 0.85 PARP1 (0.45) STING1PARP1RIPK1KDM4EATM
SCHEMBL27185423 0.85 PARP1 (0.45) STING1PARP1RIPK1KDM4EATM
SCHEMBL4881757 0.80 STING1 (0.44) STING1PARP1KDM4EGAAMAPT
SCHEMBL7477385 0.79 PARP1 (0.49) PARP1KDM4EATMGAAKMT2A
SCHEMBL11947882 0.78 PARP1 (0.48) PARP1KDM4EATMGAAKMT2A
SCHEMBL29784473 0.76 MAPT (0.42) STING1PARP1KDM4EGAAMAPT
SCHEMBL940950 0.76 ALDH1A1 (0.37) STING1PARP1RIPK1KDM4EATM
SCHEMBL29784332 0.74 STING1 (0.83) STING1KDM4EMAPTLMNA
SCHEMBL7479778 0.73 TSHR (0.46) PARP1KDM4EATMGAAKMT2A
SCHEMBL7480439 0.73 NPC1 (0.44) STING1KDM4EATMKMT2AMAPT

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-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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 (1 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 STING1 439/4885PARP1 1156/4885RIPK1 1658/4885

“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.