SCHEMBL461297

SCHEMBL461297

N#Cc1ccc(NCCN(CC2CCCCC2)S(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.58
FNTB P49356 14/20 0.58
PGGT1B P53609 6/20 0.58
CXCR3 P49682 1/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR7 P34969 3/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL462521 0.88 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL15124470 0.87 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL15124855 0.78 FNTA (0.46) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL461093 0.77 FNTA (0.50) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL15124696 0.74 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL15124423 0.72 FNTA (0.44) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL31534292 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL463380 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL15124860 0.65 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL29184192 0.65 HSD11B1 (0.53) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 FNTA 1/4885FNTB 2/4885PGGT1B 34/4885

“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.