SCHEMBL14880366

SCHEMBL14880366

Nc1cccc(OCC(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NUDT1 P36639 1/20 0.39
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL29637031 1.00 MCHR1 (0.42) MCHR1L3MBTL1MAPTALDH1A1MEN1
SCHEMBL22122515 0.82 MCHR1 (0.57) MCHR1HSP90AA1HSP90AB1NOS3NOS2
SCHEMBL30218060 0.82 MCHR1 (0.57) MCHR1HSP90AA1HSP90AB1NOS3NOS2
SCHEMBL14896853 0.81 NUDT1 (0.59) MCHR1NUDT1NOS3NOS2ASIC3
SCHEMBL2716200 0.79 L3MBTL1 (0.37) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL29649853 0.79 NUDT1 (0.44) MCHR1MAPTKDM4ENUDT1NOS3
SCHEMBL22122502 0.79 NUDT1 (0.44) MCHR1MAPTKDM4ENUDT1NOS3
SCHEMBL3386747 0.78 HTR7 (0.51) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL22621693 0.78 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ANUDT1POLB
SCHEMBL14207590 0.78 RXRA (0.44) L3MBTL1MEN1KMT2ANUDT1NOS3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754679-B Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2023-04-07 CN disclosed
CN-109311878-B Triazolopyridines as gamma-secretase modulators 豪夫迈·罗氏有限公司 2022-05-24 CN disclosed
CN-113754679-A Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2021-12-07 CN disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
CN-104394869-A Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-04 CN disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 WO disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 WO disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO 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 (4 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-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR MCHR1 1535/4885L3MBTL1 966/4885MAPT 185/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCHR1 3729/4885L3MBTL1 2542/4885MAPT 2406/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCHR1 3729/4885L3MBTL1 2542/4885MAPT 2406/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR MCHR1 1535/4885L3MBTL1 966/4885MAPT 185/4885

“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.