SCHEMBL4376348

SCHEMBL4376348

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.57
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 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
RAB9A P51151 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 0.90 METAP1 (0.54) METAP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4377644 0.90 METAP1 (0.54) METAP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13624159 0.87 METAP1 (0.46) METAP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4367763 0.87 KDR (0.55) METAP1KDM4EMEN1KMT2AMAPT
SCHEMBL4363482 0.87 METAP1 (0.52) METAP1KDM4EMEN1KMT2AMAPT
SCHEMBL4371202 0.87 KDR (0.55) METAP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5221223 0.84 METAP1 (0.42) METAP1KDM4EMEN1KMT2AMAPT
SCHEMBL4372948 0.84 KDR (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4372898 0.84 MCHR1 (0.46) METAP1KDM4EMEN1KMT2AHTT
SCHEMBL4368752 0.84 KDR (0.46) METAP1KDM4EMEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
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 3988/4885ALDH1A1 916/4885KDM4E 825/4885

“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.