SCHEMBL5099626

SCHEMBL5099626

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
GAA P10253 3/20 0.51
SLC6A3 Q01959 6/20 0.49
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 2/20 0.47
RORC P51449 3/20 0.46
RORB Q92753 3/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PDE4D Q08499 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
SCHEMBL2723555 0.84 SLC6A3 (0.63) ABL1GAASLC6A3SLC6A4SLC6A2
SCHEMBL630047 0.84 GAA (0.58) ABL1GAASLC6A3SLC6A4SLC6A2
SCHEMBL29775249 0.84 GAA (0.58) ABL1GAASLC6A3SLC6A4SLC6A2
SCHEMBL5098721 0.83 SLC6A3 (0.49) ABL1SLC6A3SLC6A4SLC6A2RORC
Hydrochloric Acid SCHEMBL6625663 0.82 GAA (0.57) ABL1GAASLC6A3SLC6A4SLC6A2
SCHEMBL30285060 0.82 SLC6A3 (0.69) ABL1SLC6A3SLC6A4SLC6A2RORC
SCHEMBL5088967 0.80 TDP1 (0.46) ABL1SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL5091273 0.79 ALDH1A1 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1SMN1; SMN2
SCHEMBL21539492 0.78 SLC6A3 (0.67) ABL1GAASLC6A3SLC6A4SLC6A2
SCHEMBL10508590 0.77 SLC6A3 (0.54) ABL1SLC6A3SLC6A4SLC6A2RORC

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 ABL1 773/4885GAA 1267/4885SLC6A3 4394/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS ABL1 318/4885GAA 713/4885SLC6A3 3813/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS ABL1 515/4885GAA 1082/4885SLC6A3 3962/4885

“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.