SCHEMBL12004049

SCHEMBL12004049

CC(C)(Oc1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ MET P08581 12/20 0.43
▸ IGF1R P08069 6/20 0.41
▸ AXL P30530 2/20 0.41
▸ HSPB1 P04792 2/20 0.40
▸ MST1R Q04912 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12003838 0.91 KDR (0.47) KDRPDGFRAMETIGF1RAXL
SCHEMBL12003860 0.87 MET (0.52) KDRPDGFRAMETIGF1RAXL
SCHEMBL12004062 0.85 MET (0.51) KDRMETAXLFLT4TEK
SCHEMBL3233739 0.84 KDR (0.49) KDRPDGFRAMETIGF1RHSPB1
SCHEMBL12004095 0.80 HSPB1 (0.46) KDRPDGFRAMETAXLHSPB1
SCHEMBL12003799 0.79 CTSV (0.48) METHSPB1MAPT
SCHEMBL21201172 0.79 MET (0.49) KDRPDGFRAMETAXLHSPB1
SCHEMBL30616303 0.79 MET (0.49) KDRPDGFRAMETAXLHSPB1
SCHEMBL27886827 0.78 HSPB1 (0.47) KDRPDGFRAMETHSPB1ALDH1A1
SCHEMBL9824190 0.77 S1PR4 (0.47) HSPB1PPARDALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598400-B2 Substituted quinoline compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-03-21 — — US disclosed
EP-2680886-B1 SUBSTITUTED QUINOLINE COMPOUNDS CALITOR SCIENCES LLC (US) 2016-08-10 — — EP disclosed
US-20150342945-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-12-03 — — US disclosed
US-9133162-B2 Substituted quinoline compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-09-15 — — US disclosed
EP-2680886-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2014-01-08 — — EP disclosed
WO-2012118632-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI NING (US) 2012-09-07 — — WO disclosed
US-20120219522-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI, Dr. Ning (US) 2012-08-30 — — 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 (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-20150342945-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE MKI67, MCL1, NRAS KDR 577/4885PDGFRA 679/4885MET 997/4885
US-20120219522-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE MKI67, MCL1, NRAS KDR 577/4885PDGFRA 679/4885MET 997/4885

“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.

Send feedback