SCHEMBL6091476

SCHEMBL6091476

O=C(NCc1ccccc1F)Nc1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NAMPT P43490 3/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
CDK8 P49336 1/20 0.45
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
SMO Q99835 1/20 0.42
LMNA P02545 1/20 0.41
IDH1 O75874 1/20 0.40
ACR P10323 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.87 ROCK2 (0.52) NAMPTROCK2ROCK1RAB9AKDM4E
SCHEMBL4366096 0.82 METAP1 (0.47) KMT2ANAMPTROCK2ROCK1MAPK1
SCHEMBL6096686 0.79 EPHX1 (0.48) KMT2ANAMPTCDK8RAB9ANPC1
SCHEMBL6092098 0.77 HSD17B10 (0.46) ROCK2ROCK1MAPK1RAB9ANPC1
SCHEMBL6092660 0.77 SMN1; SMN2 (0.43) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL20707804 0.76 ADORA2A (0.46) KMT2ARAB9APKMNPC1KDM4E
SCHEMBL4371236 0.76 ROCK2 (0.47) ROCK2ROCK1RAB9ANPC1LMNA
SCHEMBL4365497 0.76 MAPT (0.45) KMT2AROCK2RAB9ANPC1MEN1
SCHEMBL6093269 0.75 ROCK2 (0.51) KMT2AROCK2ROCK1RAB9ANPC1
SCHEMBL6094221 0.74 RAB9A (0.48) KMT2ANAMPTROCK2ROCK1RAB9A

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 KMT2A 963/4885NAMPT 3989/4885ROCK2 1265/4885

“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.