SCHEMBL4424967

SCHEMBL4424967

N#CC(c1ccc(I)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.46
FNTB P49356 9/20 0.46
PGGT1B P53609 1/20 0.46
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
GSK3B P49841 1/20 0.31
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4434794 0.84 FNTA (0.47) FNTAFNTBPGGT1BOPRM1OPRK1
SCHEMBL4425431 0.80 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL4428148 0.78 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL4426318 0.77 FNTA (0.49) FNTAFNTBPGGT1BGSK3BUCHL1
SCHEMBL4426275 0.75 FNTA (0.55) FNTAFNTBPGGT1BGSK3BKDM4E
SCHEMBL4423462 0.75 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL29445867 0.74 FNTA (0.53) FNTAFNTBPGGT1BGSK3BKDM4E
Water SCHEMBL7207857 0.74 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL7203407 0.74 FNTA (0.55) FNTAFNTBPGGT1BOPRM1OPRK1
SCHEMBL5022569 0.70 FNTA (0.47) FNTAFNTBPGGT1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458720-B1 1,8-ANNELATED QUINOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED TRIAZOLES AS FARNESYL TRANSFERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-03-18 EP disclosed
US-7408063-B2 1,8-annelated quinoline derivatives substituted with carbon-linked triazoles as farnesyl transferase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
US-20050176702-A1 1,8-Annelated quinoline derivatives substituted with carbon-linked triazoles as farnesyl transferase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-11 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 (1 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-20050176702-A1 1,8-Annelated quinoline derivatives substituted with carbon-linked triazoles as farnesyl transferase inhibitors FNTA, FNTB, ACAT2 FNTA 1/4885FNTB 2/4885PGGT1B 58/4885

“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.