SCHEMBL14916865

SCHEMBL14916865

O=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1Cc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.62
FABP5 Q01469 4/20 0.62
CCR2 P41597 2/20 0.44
DHODH Q02127 2/20 0.42
FABP3 P05413 4/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
PLA2G2A P14555 1/20 0.39
NR3C1 P04150 3/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14915290 0.87 FABP4 (0.50) FABP4FABP5CCR2ALDH1A1GAA
SCHEMBL14917114 0.87 FABP4 (0.57) FABP4FABP5DHODHFABP3ALDH1A1
SCHEMBL18222154 0.84 FABP4 (0.48) FABP4FABP5CCR2ALDH1A1TDP1
SCHEMBL14917314 0.79 FABP4 (0.61) FABP4FABP5CCR2DHODHFABP3
SCHEMBL14917369 0.79 FABP4 (0.51) FABP4FABP5CCR2DHODHFABP3
SCHEMBL14916679 0.79 FABP3 (0.62) FABP4FABP5DHODHFABP3ALDH1A1
SCHEMBL14917100 0.78 FABP3 (0.64) FABP4FABP5DHODHFABP3ALDH1A1
SCHEMBL14917130 0.77 FABP4 (0.46) FABP4FABP5DHODHFABP3ALDH1A1
SCHEMBL14917144 0.77 FABP4 (0.46) FABP4FABP5CCR2DHODHFABP3
SCHEMBL14916776 0.77 FABP4 (1.00) FABP4FABP5DHODHFABP3ALDH1A1

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 21 patents — showing the first 20. 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
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
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
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 2/4885FABP5 3/4885CCR2 33/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885CCR2 33/4885

“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.