SCHEMBL5088967

SCHEMBL5088967

COC(=O)c1ccc(C#N)cc1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
SLC6A3 Q01959 5/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A2 P23975 1/20 0.44
ABL1 P00519 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
P2RX1 P51575 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL5098721 0.80 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ABL1NPC1
SCHEMBL5099626 0.80 ABL1 (0.54) SLC6A3SLC6A4SLC6A2ABL1NPC1
SCHEMBL30285060 0.79 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2ABL1NPC1
SCHEMBL6164941 0.79 SLC6A3 (0.57) SLC6A3PTGDR2SLC6A4SLC6A2ALDH1A1
SCHEMBL392298 0.76 FLT1 (0.51) ABL1ALDH1A1HPGDMRGPRX4MEN1
SCHEMBL5091273 0.76 ALDH1A1 (0.48) TDP1SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL18395267 0.75 NR4A2 (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL5093159 0.75 ALOX5 (0.50) TDP1PTGDR2P2RX1
SCHEMBL21539492 0.75 SLC6A3 (0.67) SLC6A3PTGDR2SLC6A4SLC6A2ABL1
SCHEMBL5122948 0.75 SLC6A4 (0.58) SLC6A3SLC6A4ABL1NPC1ALDH1A1

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 TDP1 673/4885SLC6A3 4394/4885PTGDR2 4612/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS TDP1 1823/4885SLC6A3 3813/4885PTGDR2 3285/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS TDP1 1151/4885SLC6A3 3962/4885PTGDR2 3106/4885

“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.