SCHEMBL4371807

SCHEMBL4371807

O=C(Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)N1CCCC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.39
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
LMNA P02545 1/20 0.34
ADAM17 P78536 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SCD5 Q86SK9 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33

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
SCHEMBL4380098 0.81 KCNH2 (0.33) TRPM8POLBMAPTSMN1; SMN2
SCHEMBL4375032 0.80 MET (0.40) TRPV1
Trifluoroacetic Acid SCHEMBL4371804 0.79 TRPV1 (0.42) TRPV1TDP1TRPM8POLBMAPT
SCHEMBL4372975 0.78 MTOR (0.40)
SCHEMBL4375234 0.78 MTOR (0.40)
SCHEMBL4368955 0.77 METAP1 (0.32)
SCHEMBL4375050 0.77 EGLN1 (0.41) MAPT
SCHEMBL4379357 0.77 GPR142 (0.32) MAPT
SCHEMBL4368777 0.76 METAP1 (0.44) TRPV1TDP1TRPM8POLBMAPT
SCHEMBL4376105 0.76 MAPK1 (0.40)

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 TRPV1 2848/4885TDP1 1217/4885TRPM8 4361/4885

“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.