SCHEMBL5099677

SCHEMBL5099677

N#Cc1ccc(O)c(-c2ccc3c(c2)OC(F)(F)O3)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
KIF11 P52732 1/20 0.40
TDP2 O95551 2/20 0.39
NOTUM Q6P988 1/20 0.37
PGGT1B P53609 2/20 0.37
SCN9A Q15858 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
XDH P47989 4/20 0.36
SLC22A12 Q96S37 4/20 0.36
BCL2L1 Q07817 1/20 0.35
CYP19A1 P11511 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KIT P10721 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL24909402 0.81 XDH (0.40) FNTAFNTBKIF11TDP2NOTUM
SCHEMBL24909809 0.80 MEN1 (0.45) FNTAFNTBKIF11TDP2NOTUM
SCHEMBL5139262 0.80 TDP2 (0.44) FNTAFNTBKIF11TDP2NOTUM
SCHEMBL5098907 0.77 BCL2L1 (0.52) KDM1AMAOAFNTAFNTBPGGT1B
SCHEMBL5089214 0.74 FNTA (0.47) KDM1AFNTAFNTBTDP2PGGT1B
SCHEMBL5099650 0.74 PTGDR2 (0.47) FNTAFNTBPGGT1B
SCHEMBL5098823 0.73 KDM1A (0.51) KDM1AMAOAFNTAFNTBKIF11
SCHEMBL11615171 0.71 KDM1A (0.53) KDM1AMAOAPIK3CAPIK3CGKDM4C
SCHEMBL5091255 0.71 MAOA (0.51) KDM1AMAOAFNTAFNTBPIK3CA
SCHEMBL623724 0.70 TDP2 (0.39) KIF11TDP2

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 KDM1A 2069/4885MAOA 4228/4885FNTA 2/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS KDM1A 4266/4885MAOA 2549/4885FNTA 2/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS KDM1A 3709/4885MAOA 2955/4885FNTA 2/4885

“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.