SCHEMBL5089148

SCHEMBL5089148

CCOCOc1ccc(C#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
FFAR1 O14842 1/20 0.39
AR P10275 2/20 0.39
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
ESRRA P11474 1/20 0.36
NPY1R P25929 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
KMT2A Q03164 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
SCHEMBL944720 0.88 TRPV4 (0.53) TRPV4FFAR1ARS1PR1ALDH1A1
SCHEMBL12221683 0.88 L3MBTL1 (0.43) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL31314271 0.87 TRPV4 (0.46) TRPV4FFAR1ARS1PR1NR3C1
SCHEMBL28833261 0.85 FFAR1 (0.40) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL29886939 0.85 FFAR1 (0.40) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL1303864 0.83 ALDH1A1 (0.40) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL10760645 0.82 HPGD (0.41) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL2037172 0.81 HPGD (0.43) TRPV4FFAR1ARALDH1A1TDP1
SCHEMBL27938601 0.79 HPGD (0.48) S1PR1ALDH1A1TDP1HSD17B10MAPT
SCHEMBL17847396 0.78 TRPV4 (0.43) TRPV4ARS1PR1CYP2A6PTGDR2

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 8 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
EP-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO 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 TRPV4 4730/4885FFAR1 4288/4885AR 4691/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS TRPV4 4841/4885FFAR1 4124/4885AR 4696/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS TRPV4 4839/4885FFAR1 3725/4885AR 4652/4885

“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.