SCHEMBL5756595

SCHEMBL5756595

CC(=O)Nc1ccc(Br)cc1C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
BDKRB1 P46663 1/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
CCR9 P51686 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
SORT1 Q99523 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL11827919 0.84 MAPT (0.76) MAPTALDH1A1MAPK1HTTNPSR1
SCHEMBL21272187 0.80 MEN1 (0.49) GAAMAPTALDH1A1HSD17B10MAPK1
SCHEMBL3925276 0.78 MAPT (0.67) GAAMAPTALDH1A1HSD17B10MAPK1
SCHEMBL1757918 0.78 ALDH1A1 (0.61) MAPTALDH1A1HSD17B10BDKRB1MAPK1
SCHEMBL15333273 0.77 GAA (0.58) GAAMAPTALDH1A1HSD17B10MEN1
SCHEMBL31253418 0.76 MAPT (0.53) GAAMAPTALDH1A1MAPK1MEN1
SCHEMBL26564809 0.76 MAPT (0.53) GAAMAPTALDH1A1MAPK1MEN1
SCHEMBL21284230 0.76 MEN1 (0.43) GAAMAPTALDH1A1HSD17B10HTT
SCHEMBL3929360 0.75 MAPT (0.51) GAAMAPTALDH1A1BDKRB1HTT
SCHEMBL29092239 0.75 ALDH1A1 (0.55) GAAMAPTALDH1A1BDKRB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives ANGIBAUD PATRICK R 2006-06-22 US disclosed
EP-1351954-B1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 EP disclosed
WO-2002051834-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 WO 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 (2 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-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline FNTA, FNTB, ACAT2 GAA 1079/4885MAPT 3865/4885ALDH1A1 1149/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB GAA 1208/4885MAPT 3106/4885ALDH1A1 1589/4885

“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.