SCHEMBL4377644

SCHEMBL4377644

O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
METAP2 P50579 1/20 0.42
FKBP1A P62942 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4368921 1.00 METAP1 (0.54) METAP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4376348 0.90 METAP1 (0.57) METAP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4367576 0.86 METAP1 (0.49) METAP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4367584 0.86 MAPT (0.50) METAP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4369506 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ARAB9ACYP3A4
SCHEMBL13624159 0.85 METAP1 (0.46) METAP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4371215 0.83 MEN1 (0.49) METAP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6092786 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL6092813 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4372206 0.81 METAP1 (0.45) METAP1SMN1; SMN2MEN1KMT2ANPC1

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 METAP1 3988/4885SMN1; SMN2 2413/4885ALDH1A1 916/4885

“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.