SCHEMBL4367691

SCHEMBL4367691

CC(CC(=O)Nc1ccc2[nH]c(-c3nccs3)nc2c1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 3/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4368860 0.83 ROCK2 (0.51) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL6092352 0.83 SMN1; SMN2 (0.53) ALDH1A1HPGDTP53RXFP1SMN1; SMN2
SCHEMBL4364832 0.83 ALDH1A1 (0.48) ALDH1A1HPGDTP53RXFP1SMN1; SMN2
SCHEMBL4372770 0.78 KDR (0.55) ALDH1A1HPGDTP53RXFP1SMN1; SMN2
SCHEMBL6092098 0.78 HSD17B10 (0.46) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL20707804 0.78 ADORA2A (0.46) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL4363672 0.77 FFAR2 (0.55) MEN1KMT2ALMNA
SCHEMBL6091959 0.77 LMNA (0.53) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL6094823 0.77 LMNA (0.53) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL6092686 0.77 MAPT (0.51) ALDH1A1HPGDTP53RXFP1SMN1; SMN2

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
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
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 ALDH1A1 916/4885HPGD 948/4885TP53 700/4885

“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.