SCHEMBL6096686

SCHEMBL6096686

CCCCNC(=O)Nc1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
PTPN7 P35236 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
CDK8 P49336 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 3/20 0.40
KDR P35968 2/20 0.40
MITF O75030 1/20 0.40
EPHX2 P34913 1/20 0.40
KIT P10721 1/20 0.39

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
SCHEMBL6094016 0.82 ROCK2 (0.52) PTPN7HTTKDM4ERAB9AKDR
SCHEMBL4367821 0.80 EPHX1 (0.48) EPHX1PTPN7SMN1; SMN2CDK8ALDH1A1
SCHEMBL20707804 0.79 ADORA2A (0.46) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E
SCHEMBL6091476 0.79 KMT2A (0.46) SMN1; SMN2CDK8KMT2AKDM4EMEN1
SCHEMBL4371236 0.79 ROCK2 (0.47) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL6092098 0.78 HSD17B10 (0.46) SMN1; SMN2MAPTALDH1A1KDM4ERAB9A
SCHEMBL4365497 0.74 MAPT (0.45) SMN1; SMN2HTTMAPTKMT2AALDH1A1
SCHEMBL4372959 0.74 KDM4E (0.44) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E
SCHEMBL4372770 0.74 KDR (0.55) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E
SCHEMBL6092660 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HTTMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 EPHX1 3780/4885PTPN7 4485/4885SMN1; SMN2 2413/4885

“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.