SCHEMBL4368730

SCHEMBL4368730

CN(C(=O)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
FSCN1 Q16658 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4379300 0.91 MAPT (0.33) METAP2METAP1KDM4EALDH1A1
SCHEMBL4367683 0.89 LIPE (0.33) KDM4E
SCHEMBL4364841 0.88 MAPT (0.33) METAP2METAP1
SCHEMBL4367768 0.88 APEX1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4371833 0.87 LRRK2 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4375627 0.85 IMPDH2 (0.32)
SCHEMBL4369545 0.85 IMPDH2 (0.34) METAP2METAP1KDM4E
SCHEMBL4368655 0.85 TRPV1 (0.38) TRPV1KDM4E
SCHEMBL4369519 0.84 MAPT (0.43) KDM4EALDH1A1GAA
SCHEMBL4363683 0.84 LRRK2 (0.31)

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-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
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-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 METAP2 4604/4885METAP1 3988/4885FSCN1 4192/4885

“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.