SCHEMBL4372959

SCHEMBL4372959

CC(C)(C(=O)Nc1ccc2[nH]c(-c3nccs3)nc2c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.41
KLK7 P49862 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL4372536 0.83 MAPT (0.50) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6090851 0.83 MAPT (0.50) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6092098 0.80 HSD17B10 (0.46) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL20707804 0.79 ADORA2A (0.46) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6094823 0.79 LMNA (0.53) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6091959 0.79 LMNA (0.53) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6094016 0.78 ROCK2 (0.52) KDM4ERAB9AROCK2
SCHEMBL4371236 0.77 ROCK2 (0.47) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6096686 0.74 EPHX1 (0.48) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL6091476 0.74 KMT2A (0.46) KDM4ERAB9ASMN1; SMN2HPGDNPC1

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 KDM4E 825/4885MAPT 2814/4885RAB9A 4310/4885

“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.