SCHEMBL4367689

SCHEMBL4367689

CC(CC(=O)Nc1ccc2c(c1)ncn2-c1nccs1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NPC1 O15118 10/20 0.44
RAB9A P51151 10/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6092359 0.83 ALDH1A1 (0.46) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4368858 0.83 MEN1 (0.50) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL4363669 0.77 FFAR2 (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL6094816 0.77 LMNA (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6091957 0.77 LMNA (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6092695 0.76 PDE10A (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4367691 0.75 ALDH1A1 (0.48) HPGDALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4365495 0.72 NPC1 (0.45) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6092669 0.72 NPC1 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4372973 0.71 NPC1 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 948/4885ALDH1A1 916/4885ADRB2 462/4885

“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.