SCHEMBL4372131

SCHEMBL4372131

COC(C(=O)Nc1ccc2ncn(-c3nccs3)c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PDE10A Q9Y233 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
GGPS1 O95749 2/20 0.40
EIF2S1 P05198 1/20 0.40
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL6092695 0.82 PDE10A (0.44) ALDH1A1GAALMNAKMT2ASMN1; SMN2
SCHEMBL6092359 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL6091957 0.79 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL6094816 0.79 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL6090866 0.78 AR (0.49) LMNASMN1; SMN2PDE10AMAPTEIF2S1
SCHEMBL4372123 0.72 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1LMNAKMT2A
SCHEMBL4377654 0.71 ANO1 (0.48) L3MBTL1PDE10AHTTSCN3A
SCHEMBL4372973 0.71 NPC1 (0.50) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL4363669 0.70 FFAR2 (0.56) LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL8049390 0.69 ALDH1A1 (0.77) ALDH1A1GAAL3MBTL1LMNAKMT2A

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 ALDH1A1 916/4885GAA 2429/4885L3MBTL1 1372/4885

“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.