SCHEMBL5756770

SCHEMBL5756770

O=C(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
NR4A1 P22736 1/20 0.49
SRD5A2 P31213 3/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
UCHL1 P09936 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.42
UBASH3B Q8TF42 1/20 0.41
CNR1 P21554 1/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5758311 0.84 LMNA (0.47) SRD5A2KMT2AMEN1LMNARXFP1
SCHEMBL17025452 0.83 KDM4E (0.49) KDM4EALDH1A1SRD5A2KMT2AMEN1
SCHEMBL6992541 0.82 KMT2A (0.43) KDM4EPOLBTDP1L3MBTL1ALDH1A1
Water SCHEMBL5782423 0.78 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL5781874 0.77 RHEB (0.48) L3MBTL1SRD5A2KMT2AMEN1LMNA
SCHEMBL1538310 0.76 MEN1 (0.59) KDM4EKMT2AMEN1LMNARXFP1
SCHEMBL5782115 0.76 KMT2A (0.66) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL1514486 0.75 POLB (0.70) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL6990287 0.75 KDM4E (0.46) KDM4ETDP1ALDH1A1NR4A1SRD5A2
SCHEMBL5756005 0.75 MEN1 (0.44) KMT2AMEN1LMNARXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129356-B2 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-31 US disclosed
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
EP-1347966-B1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-08 EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-01 US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 EP disclosed
EP-1347966-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-01 EP disclosed
WO-2002051835-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 WO 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 (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-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline FNTA, FNTB, ACAT2 KDM4E 2268/4885POLB 4404/4885TDP1 2139/4885
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives FNTA, FNTB, CYP7A1 KDM4E 2357/4885POLB 4346/4885TDP1 2754/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB KDM4E 2411/4885POLB 4616/4885TDP1 2576/4885

“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.