SCHEMBL5892034

SCHEMBL5892034

CCCCN(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.55
FNTB P49356 14/20 0.55
KCNH2 Q12809 3/20 0.55
PGGT1B P53609 8/20 0.48
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47

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
Hydrochloric Acid SCHEMBL9051605 0.99 FNTA (0.54) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL5891919 0.75 FNTA (0.55) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL3500034 0.75 CYP11B1 (0.53) FNTAFNTBKCNH2PGGT1BCYP11B1
Hydrochloric Acid SCHEMBL8541204 0.74 FNTA (0.55) FNTAFNTBKCNH2PGGT1BCYP11B1
Hydrochloric Acid SCHEMBL8368375 0.74 CYP11B1 (0.52) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL6712710 0.74 FNTA (0.47) FNTAFNTBKCNH2
SCHEMBL6709667 0.72 FNTA (0.46) FNTAFNTBKCNH2
SCHEMBL8506339 0.72 FNTA (0.61) FNTAFNTBKCNH2PGGT1BCYP11B1
Hydrochloric Acid SCHEMBL8505325 0.71 FNTA (0.60) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL6714988 0.71 FNTA (0.53) FNTAFNTBKCNH2PGGT1BCYP11B1

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-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US claimed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US disclosed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 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-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR FNTA 1/4885FNTB 12/4885KCNH2 4801/4885

“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.