SCHEMBL14916710

SCHEMBL14916710

N#Cc1c(C2CCCCC2)nc2ccc(C(F)(F)F)cc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.43
FABP5 Q01469 3/20 0.43
ESR1 P03372 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPBWR1 P48145 1/20 0.37
GRM5 P41594 1/20 0.36
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL14916476 0.99 ESR1 (0.41) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14916397 0.84 FABP4 (0.38) FABP4FABP5DHODHSMN1; SMN2POLB
SCHEMBL14916294 0.83 FABP4 (0.57) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14916134 0.82 KHK (0.37) TDP1L3MBTL1RAPGEF4ALDH1A1MAPT
SCHEMBL14916129 0.82 KHK (0.39) TDP1L3MBTL1DHODHRAPGEF4ALDH1A1
SCHEMBL27971124 0.81 FABP4 (0.44) FABP4FABP5TDP1L3MBTL1DHODH
SCHEMBL14916539 0.80 FABP4 (0.58) FABP4FABP5ESR1ALDH1A1MAPT
SCHEMBL27970939 0.80 FABP4 (0.45) FABP4FABP5TDP1L3MBTL1RAPGEF4
SCHEMBL14916692 0.80 FABP4 (0.43) FABP4FABP5TDP1L3MBTL1RAPGEF4
SCHEMBL14916989 0.78 FABP4 (0.42) FABP4FABP5TDP1L3MBTL1RAPGEF4

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 18 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
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
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
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 3/4885ESR1 3516/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885ESR1 3634/4885

“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.