SCHEMBL5099610

SCHEMBL5099610

N#Cc1ccc(O)c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
FNTB P49356 3/20 0.46
SCN5A Q14524 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH1 P35367 1/20 0.46
TRPA1 O75762 1/20 0.46
SCN9A Q15858 1/20 0.46
FNTA P49354 2/20 0.45
PGGT1B P53609 1/20 0.45
MAOB P27338 1/20 0.44
NTRK1 P04629 1/20 0.44
ACLY P53396 1/20 0.43
ABL1 P00519 1/20 0.41
STS P08842 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
TDP2 O95551 1/20 0.39

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
SCHEMBL5092890 0.85 FNTA (0.49) KDM1AMAOAFNTBSCN5ATRPA1
SCHEMBL5098826 0.84 FFAR4 (0.52) KDM1AFNTBSCN5ASIGMAR1HRH1
SCHEMBL24910073 0.82 SCN9A (0.41) KDM1AFNTBSCN5ASIGMAR1HRH1
SCHEMBL8304491 0.79 SCN5A (0.46) KDM1AFNTBSCN5ASIGMAR1HRH1
SCHEMBL24909916 0.79 MEN1 (0.47) KDM1AFNTBSCN5ASIGMAR1HRH1
SCHEMBL5098839 0.79 FNTB (0.45) KDM1AFNTBSCN5ASIGMAR1HRH1
SCHEMBL2803766 0.79 KIF11 (0.57) KDM1AFNTBSCN5AHRH1TRPA1
Hydrochloric Acid SCHEMBL4599674 0.77 KIF11 (0.55) KDM1AFNTBSCN5AHRH1TRPA1
SCHEMBL13809399 0.77 ABL1 (0.43) ABL1FFAR1FFAR4AURKATPX2
SCHEMBL201174 0.77 TRPA1 (0.53) KDM1ASCN5ATRPA1SCN9AMAOB

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 KDM1A 2069/4885MAOA 4228/4885FNTB 1/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS KDM1A 4266/4885MAOA 2549/4885FNTB 1/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS KDM1A 3709/4885MAOA 2955/4885FNTB 1/4885

“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.