SCHEMBL5094201

SCHEMBL5094201

COc1cccc(-c2cc(C#N)ccc2CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.53
FNTB P49356 10/20 0.53
PGGT1B P53609 4/20 0.53
DGAT2 Q96PD7 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
GRM2 Q14416 1/20 0.43
PLAU P00749 1/20 0.43
NAAA Q02083 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5093000 0.87 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL5099548 0.80 PLAU (0.46) FNTAFNTBPGGT1BPLAUTP53
SCHEMBL24017185 0.79 TP53 (0.48) FNTAFNTBPGGT1BPLAUTP53
SCHEMBL5091221 0.79 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL30870707 0.79 PLAU (0.46) FNTAFNTBPGGT1BCYP1A2CYP3A4
SCHEMBL5091260 0.79 PLAU (0.48) FNTAFNTBPGGT1BPLAU
SCHEMBL28854331 0.78 HTR7 (0.51) CYP1A2CYP3A4CYP2D6TSHRMAPK1
SCHEMBL5098820 0.77 ADORA2A (0.47) FNTAFNTBPGGT1BPLAUTP53
SCHEMBL7446928 0.76 PGR (0.55) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL7629793 0.75 PGR (0.57) CYP1A2CYP3A4CYP2D6CYP2C19PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 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 (3 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 FNTA 2/4885FNTB 1/4885PGGT1B 28/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS FNTA 2/4885FNTB 1/4885PGGT1B 16/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS FNTA 2/4885FNTB 1/4885PGGT1B 14/4885

“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.