SCHEMBL461093

SCHEMBL461093

NCCN(CC1CCCCC1)S(=O)(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
PGGT1B P53609 3/20 0.50
HTR2A P28223 12/20 0.42
HTR2C P28335 12/20 0.42
HTR7 P34969 12/20 0.42
PTGES O14684 1/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL15124855 0.82 FNTA (0.46) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL461297 0.77 FNTA (0.58) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL15124423 0.76 FNTA (0.44) FNTAFNTBPGGT1BHTR2AHTR2C
SCHEMBL15124470 0.75 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL462521 0.75 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL13560114 0.69 PKM (0.61) HTR2AHTR2CTSHRHPGD
SCHEMBL29265678 0.67 NPC1 (0.50) TSHRHPGD
SCHEMBL3482958 0.66 PTGES (0.53) HTR2AHTR2CHTR7PTGES
SCHEMBL2865693 0.66 KMT2A (0.46) HTR2AHTR2CHTR7TSHR
SCHEMBL8018027 0.66 CYP2D6 (0.47) HPGDRECQL

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.