SCHEMBL4369306

SCHEMBL4369306

O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.41
MTOR P42345 3/20 0.41
NAMPT P43490 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 3/20 0.38
MAPT P10636 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
ROCK1 Q13464 1/20 0.37
EPHB4 P54760 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL4369669 0.91 ROCK2 (0.47) ATG4BNAMPTROCK2ROCK1
SCHEMBL4379321 0.87 ROCK2 (0.38) NAMPTROCK2ROCK1MEN1KMT2A
SCHEMBL4376303 0.83 ROCK2 (0.34) ROCK2TRPV1ROCK1
SCHEMBL4367710 0.82 ROCK2 (0.44) NAMPTROCK2MAPTROCK1
SCHEMBL4375050 0.82 EGLN1 (0.41) ROCK2MAPTROCK1MEN1KMT2A
SCHEMBL4369500 0.81 MAPT (0.34) MTORLMNASMN1; SMN2ROCK2MAPT
SCHEMBL4379357 0.78 GPR142 (0.32) MTORROCK2MAPTROCK1MEN1
SCHEMBL4375570 0.78 MTOR (0.46) ATG4BMTORNAMPTLMNASMN1; SMN2
SCHEMBL4376105 0.78 MAPK1 (0.40) MTORROCK2ROCK1
SCHEMBL5409665 0.78 GPR142 (0.33) MAPTMEN1KMT2A

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 ATG4B 3110/4885MTOR 400/4885NAMPT 3989/4885

“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.