SCHEMBL14927271

SCHEMBL14927271

Fc1cc2nc(C3CCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.47
FABP5 Q01469 5/20 0.47
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKAA2 P54646 1/20 0.33
MAP2 P11137 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPY5R Q15761 1/20 0.32
FABP3 P05413 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SSTR3 P32745 1/20 0.30
MDM2 Q00987 1/20 0.30
MAPT P10636 1/20 0.30
MAPK14 Q16539 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL14927295 0.99 FABP4 (0.49) FABP4FABP5TDP1L3MBTL1PRKAA2
SCHEMBL14917398 0.85 FABP4 (0.52) FABP4FABP5TDP1L3MBTL1NPY5R
SCHEMBL14916921 0.84 FABP4 (0.53) FABP4FABP5TDP1L3MBTL1FABP3
SCHEMBL14916635 0.83 FABP4 (0.52) FABP4FABP5MAP2FABP3CYP2D6
SCHEMBL14917236 0.82 FABP4 (0.66) FABP4FABP5TDP1L3MBTL1FABP3
SCHEMBL14917038 0.82 FABP4 (0.68) FABP4FABP5TDP1L3MBTL1FABP3
SCHEMBL14927281 0.81 FABP4 (0.46) FABP4FABP5TDP1L3MBTL1CYP11B1
SCHEMBL14927285 0.80 FABP4 (0.48) FABP4FABP5TDP1L3MBTL1CYP11B1
SCHEMBL14927288 0.80 FABP4 (0.70) FABP4FABP5TDP1L3MBTL1FABP3
SCHEMBL14916969 0.78 ALDH1A1 (0.41) TDP1L3MBTL1NPY5RCYP2D6CYP2C9

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-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-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
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 2/4885FABP5 3/4885TDP1 4157/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885TDP1 4075/4885

“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.