SCHEMBL6092098

SCHEMBL6092098

C[C@@H](NC(=O)Nc1ccc2[nH]c(-c3nccs3)nc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MTOR P42345 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 7/20 0.42
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
C5 P01031 2/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KLK7 P49862 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL4371236 0.89 ROCK2 (0.47) HSD17B10ROCK2ROCK1ALDH1A1ADORA2B
SCHEMBL6091959 0.86 LMNA (0.53) HSD17B10ALDH1A1TSHRRAB9AMAPT
SCHEMBL6094823 0.86 LMNA (0.53) HSD17B10ALDH1A1TSHRRAB9AMAPT
SCHEMBL20707804 0.83 ADORA2A (0.46) HSD17B10ALDH1A1ADORA2ARAB9AMAPT
SCHEMBL4365319 0.82 METAP1 (0.48) HSD17B10ROCK2ROCK1MTORTSHR
SCHEMBL4367957 0.82 METAP1 (0.48) HSD17B10ROCK2ROCK1MTORTSHR
SCHEMBL6094016 0.82 ROCK2 (0.52) ROCK2ROCK1ADORA2BADORA1RAB9A
SCHEMBL4372959 0.80 KDM4E (0.44) HSD17B10ROCK2ALDH1A1MAPK1RAB9A
SCHEMBL6096686 0.78 EPHX1 (0.48) HSD17B10ALDH1A1RAB9AMAPTKDM4E
Trifluoroacetic Acid SCHEMBL4376103 0.78 METAP1 (0.44) HSD17B10ROCK2ROCK1MTORTSHR

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 HSD17B10 1275/4885ROCK2 1265/4885ROCK1 609/4885

“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.