SCHEMBL14916404

SCHEMBL14916404

Cc1cc(Br)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.47
ADORA2A P29274 1/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRM4 P08173 1/20 0.44
AKR1C3 P42330 1/20 0.44
C5AR1 P21730 1/20 0.43

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
SCHEMBL7550690 0.83 KDM4E (0.62) MAPTPOLBNPC1MAPK1HTT
SCHEMBL4630763 0.83 KDM4E (0.62) MAPTPOLBNPC1MAPK1HTT
SCHEMBL10691843 0.83 MAPT (0.65) MAPTPOLBNPC1MAPK1HTT
SCHEMBL10396987 0.81 MAPT (0.47) MAPTPOLBHTTGAAALDH1A1
SCHEMBL27585830 0.80 MAPT (0.50) MAPTPOLBGAAALDH1A1MAPK14
SCHEMBL15793401 0.80 MAPT (0.50) MAPTPOLBGAAALDH1A1MAPK14
SCHEMBL221718 0.79 KDM4E (0.66) MAPTPOLBKDM4EAKR1C3
SCHEMBL27566027 0.77 MAPT (0.50) MAPTPOLBGAAALDH1A1MAPK14
SCHEMBL2760394 0.76 GAA (0.58) MAPTPOLBGAAALDH1A1MAPK14
SCHEMBL29979531 0.76 MAPT (1.00) MAPTPOLBNPC1MAPK1HTT

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 MAPT 4286/4885POLB 4129/4885NPC1 317/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 MAPT 4259/4885POLB 3971/4885NPC1 411/4885

“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.