SCHEMBL3115697

SCHEMBL3115697

Nc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.38
KIF11 P52732 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ACP1 P24666 1/20 0.37
MAPK1 P28482 1/20 0.34
KDM1A O60341 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL29679053 0.88 GAA (0.45) GAATSHRGLAPOLBMAPT
SCHEMBL28598627 0.88 GAA (0.45) GAATSHRGLAPOLBMAPT
SCHEMBL1536699 0.88 GAA (0.45) GAATSHRGLAPOLBMAPT
SCHEMBL15543679 0.86 GAA (0.43) GAATSHRGLAPOLBMAPT
SCHEMBL15556074 0.84 TSHR (0.42) GAATSHRGLAPOLBMAPT
SCHEMBL1438733 0.84 TSHR (0.42) GAATSHRGLAPOLBMAPT
SCHEMBL2438192 0.80 GAA (0.59) GAATSHRGLAPOLBMAPT
SCHEMBL12397904 0.80 GAA (0.42) GAATSHRGLAPOLBMAPT
SCHEMBL30689846 0.80 GLA (0.38) GAATSHRGLAPOLBMAPT
SCHEMBL27201777 0.80 GLA (0.38) GAATSHRGLAPOLBMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106344-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-07 US disclosed
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 US disclosed
EP-3337796-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics, Inc. (US) 2018-06-27 EP disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
US-9266872-B2 2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-02-23 US disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
EP-2172456-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PEST CONTROL AGENT CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-07 EP 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-20220106344-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CTCF, CCNY, RUVBL2 GAA 2918/4885TSHR 1678/4885GLA 2007/4885
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators NAMPT, PAK3, PAK5 GAA 3404/4885TSHR 3626/4885GLA 3569/4885
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT CHRM2, CHRM5, CHRM3 GAA 4838/4885TSHR 454/4885GLA 4728/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 GAA 1428/4885TSHR 3299/4885GLA 1212/4885

“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.