SCHEMBL14917040

SCHEMBL14917040

CNC(=O)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.67
FABP3 P05413 5/20 0.67
FABP5 Q01469 6/20 0.63
PLA2G2A P14555 1/20 0.53
DHODH Q02127 2/20 0.52
CYP2C9 P11712 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
PRNP P04156 1/20 0.48
PPARG P37231 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PIN1 Q13526 1/20 0.45
MAP2 P11137 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14916797 0.87 FABP4 (0.73) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL18222218 0.82 FABP4 (0.51) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL21083000 0.81 FABP4 (1.00) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL14917093 0.78 FABP4 (1.00) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL27343884 0.76 FABP4 (0.79) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL14916496 0.76 FABP4 (0.79) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL14917310 0.75 FABP4 (0.69) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL14917028 0.75 FABP4 (0.69) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL9363382 0.75 FABP4 (0.69) FABP4FABP3FABP5PLA2G2ADHODH
SCHEMBL14917209 0.74 FABP4 (0.65) FABP4FABP3FABP5PLA2G2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US claimed
CN-103906735-B Novel aryl-quinoline derivatives 霍夫曼-拉罗奇有限公司 2016-12-07 CN claimed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US claimed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP claimed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO claimed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US claimed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
CN-103906735-B Novel aryl-quinoline derivatives 霍夫曼-拉罗奇有限公司 2016-12-07 CN disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 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-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 FABP4 2/4885FABP3 4/4885FABP5 3/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP3 5/4885FABP5 3/4885

“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.