SCHEMBL939372

SCHEMBL939372

COC(=O)c1cccc2nc(CN(C)C(=O)c3ccc(Cl)s3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
UBE2N P61088 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HSD17B2 P37059 3/20 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
SCHEMBL939010 0.89 SMN1; SMN2 (0.39) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL11955899 0.85 RIPK1 (0.46) POLBTSHRMAPTALDH1A1NPC1
SCHEMBL938429 0.83 F2 (0.42) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL938849 0.82 RAB9A (0.38) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL940643 0.78 NPC1 (0.43) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL11947879 0.76 CACNA1G (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL940108 0.75 CYP2C9 (0.43) TSHRMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7002080 0.75 KDM4E (0.48) MEN1KMT2AKDM4ETSHRMAPT
SCHEMBL7721019 0.74 DDAH1 (0.44) MEN1KMT2AKDM4ETSHRMAPT
SCHEMBL11947875 0.72 BDKRB1 (0.40) MEN1KMT2AKDM4ETSHRMAPT

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 7 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
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

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 POLB 3273/4885MEN1 864/4885KMT2A 3434/4885

“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.