SCHEMBL4376877

SCHEMBL4376877

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.48
METAP2 P50579 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
FKBP1A P62942 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL4369556 0.93 METAP1 (0.56) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4367982 0.89 METAP1 (0.50) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4366074 0.89 METAP1 (0.50) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4366000 0.87 METAP1 (0.51) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4370870 0.87 METAP1 (0.48) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4371134 0.87 METAP1 (0.48) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4367695 0.87 METAP1 (0.48) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4367957 0.83 METAP1 (0.48) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL4365319 0.83 METAP1 (0.48) METAP1METAP2KDM4ESMN1; SMN2NPC1
SCHEMBL3500748 0.83 METAP1 (0.52) METAP1METAP2KDM4ESMN1; SMN2NPC1

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.