SCHEMBL4366074

SCHEMBL4366074

C[C@H](C(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.50
METAP2 P50579 5/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
FKBP1A P62942 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44

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
SCHEMBL4367982 1.00 METAP1 (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4368578 0.92 METAP1 (0.58) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4366820 0.91 METAP1 (0.45) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4379262 0.90 METAP1 (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4379056 0.90 METAP1 (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL13624164 0.90 METAP1 (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL13624163 0.90 METAP1 (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4370870 0.90 METAP1 (0.48) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4371134 0.90 METAP1 (0.48) METAP1METAP2KDM4ENPC1TP53
SCHEMBL4367695 0.90 METAP1 (0.48) METAP1METAP2KDM4ENPC1TP53

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 3988/4885METAP2 4604/4885KDM4E 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.