SCHEMBL14916686

SCHEMBL14916686

NNC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.78
FABP3 P05413 9/20 0.78
FABP5 Q01469 9/20 0.78
NPSR1 Q6W5P4 1/20 0.61
CYP2C9 P11712 5/20 0.59
CYP2D6 P10635 4/20 0.57
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G2A P14555 1/20 0.44
TP53 P04637 1/20 0.41

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
SCHEMBL14916322 0.88 FABP4 (1.00) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14917289 0.87 FABP4 (0.98) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL2820934 0.86 FABP4 (0.83) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18231466 0.84 FABP4 (0.79) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14917037 0.83 FABP3 (0.74) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18231455 0.82 FABP4 (0.77) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916460 0.82 FABP4 (0.87) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916337 0.82 FABP3 (0.72) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14932771 0.81 FABP4 (0.71) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916856 0.81 FABP4 (0.85) FABP4FABP3FABP5NPSR1CYP2C9

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 15 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 disclosed
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
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-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
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
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.