SCHEMBL4372973

SCHEMBL4372973

CC(C)(C(=O)Nc1ccc2c(c1)ncn2-c1nccs1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.50
RAB9A P51151 12/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ADRA2B P18089 2/20 0.43
TP53 P04637 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6090866 0.83 AR (0.49) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6091957 0.78 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6094816 0.78 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4365495 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4368858 0.72 MEN1 (0.50) NPC1RAB9ASMN1; SMN2LMNAAURKA
SCHEMBL4372959 0.71 KDM4E (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6092669 0.71 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4363669 0.71 FFAR2 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL1387982 0.71 PDE10A (0.54) LMNAALDH1A1POLB
SCHEMBL4372131 0.71 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1MEN1

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 NPC1 3580/4885RAB9A 4310/4885SMN1; 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.