SCHEMBL4372123

SCHEMBL4372123

COC(C(=O)Nc1ccc2nc(-c3nccs3)[nH]c2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 8/20 0.49
MAPT P10636 7/20 0.49
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
NPC1 O15118 3/20 0.49
KLK7 P49862 1/20 0.49
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.46
APAF1 O14727 2/20 0.46
NR2E3 Q9Y5X4 2/20 0.46
PPARG P37231 1/20 0.46
RECQL P46063 1/20 0.46
SMAD3 P84022 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL6093781 0.88 MAPT (0.53) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6092024 0.87 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6092686 0.83 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6092352 0.82 SMN1; SMN2 (0.53) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4369556 0.81 METAP1 (0.56) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6094823 0.79 LMNA (0.53) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6091959 0.79 LMNA (0.53) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6093689 0.79 MAPT (0.59) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4372536 0.78 MAPT (0.50) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6090851 0.78 MAPT (0.50) ALDH1A1KDM4EMAPTHPGDSMN1; 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 ALDH1A1 916/4885KDM4E 825/4885MAPT 2814/4885

“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.