SCHEMBL937871

SCHEMBL937871

COC(=O)c1cccc2c1nc(CNCS(=O)(=O)c1c(C)cc(OC)cc1C)n2C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
STING1 Q86WV6 1/20 0.37
LCK P06239 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GFER P55789 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CB P42338 1/20 0.32
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL937873 0.82 PARP1 (0.41) PARP1ALDH1A1TSHR
SCHEMBL11947881 0.79 PARP1 (0.44) PARP1LCKALDH1A1LMNAMEN1
SCHEMBL11947880 0.76 PARP1 (0.42) PARP1LCKALDH1A1NPC1RAB9A
SCHEMBL938487 0.75 STING1 (0.44) PARP1STING1LCKNPC1RAB9A
SCHEMBL940068 0.74 PARP1 (0.42) PARP1STING1PPARGTSHR
SCHEMBL937879 0.74 LMNA (0.43) ALDH1A1NPC1RAB9ALMNAPPARG
SCHEMBL939380 0.74 KMT2A (0.36) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL29784480 0.72 PARP1 (0.45) PARP1STING1LCKALDH1A1LMNA
SCHEMBL27185423 0.72 PARP1 (0.45) PARP1STING1LCKALDH1A1LMNA
SCHEMBL11888763 0.70 KDM4E (0.44) ALDH1A1NPC1RAB9AHDAC1LMNA

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 3 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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 (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 PARP1 1156/4885STING1 439/4885LCK 2331/4885

“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.