SCHEMBL5758571

SCHEMBL5758571

CC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1C(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LTC4S Q16873 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
KCNMA1 Q12791 1/20 0.43
SERPINE1 P05121 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5782330 0.80 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5758264 0.80 HTT (0.55) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL5478095 0.79 ALDH1A1 (0.56) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL8987356 0.76 TSHR (0.57) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL5591866 0.76 HPGDS (0.69) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL14434162 0.75 ALDH1A1 (0.60) GAAMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL11858317 0.74 GAA (0.49) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL19010188 0.74 TP53 (0.60) RAB9AGAAMAPTKMT2AALDH1A1
SCHEMBL31000396 0.72 MAPT (0.72) GAAMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11827090 0.72 MAPT (0.72) GAAMAPTSMN1; SMN2ALDH1A1LMNA

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 RAB9A 183/4885GAA 1079/4885MAPT 3865/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB RAB9A 146/4885GAA 1208/4885MAPT 3106/4885

“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.