SCHEMBL6602097

SCHEMBL6602097

CCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCCC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
FNTA P49354 7/20 0.41
FNTB P49356 7/20 0.41
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
PGGT1B P53609 1/20 0.38

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
SCHEMBL6600292 0.99 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBRAB9A
SCHEMBL6756404 0.96 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBRAB9A
SCHEMBL6601239 0.92 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBRAB9A
SCHEMBL6759290 0.92 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL6760840 0.91 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL6757429 0.91 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL6757414 0.90 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL6601048 0.90 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL6600830 0.89 FNTA (0.45) FNTAFNTBRAB9AKCNH2PGGT1B
SCHEMBL6759268 0.89 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBKCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US claimed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP claimed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 WO claimed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS CYP11B1 126/4885CYP11B2 162/4885FNTA 338/4885

“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.