SCHEMBL400732

SCHEMBL400732

N#Cc1c(C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.47
FABP4 P15090 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ALOX15 P16050 1/20 0.39
P2RX7 Q99572 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL4642918 0.83 ALOX15 (0.42) TAS2R14ALDH1A1KDM4EHPGDMRGPRX4
SCHEMBL30462467 0.82 TAS2R14 (0.43) TAS2R14FABP4ALDH1A1MEN1KMT2A
SCHEMBL398482 0.81 LMNA (0.41) TAS2R14ALDH1A1GAALMNAKDM4E
SCHEMBL17672727 0.80 TAS2R14 (0.48) TAS2R14FABP4ALDH1A1MEN1KMT2A
SCHEMBL1906819 0.79 AR (0.43) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL16534359 0.77 MAPT (0.55) ALDH1A1LMNAKDM4EHPGDMRGPRX4
SCHEMBL28331532 0.77 ALB (0.55) ALDH1A1KDM4EHPGDMRGPRX4ALOX15
SCHEMBL30961765 0.77 ALB (0.55) ALDH1A1KDM4EHPGDMRGPRX4ALOX15
SCHEMBL221518 0.75 LMNA (0.62) TAS2R14FABP4ALDH1A1MEN1KMT2A
SCHEMBL30449216 0.75 LMNA (0.62) TAS2R14FABP4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
WO-2008100635-A1 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100620-A2 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (3 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 TAS2R14 4500/4885FABP4 1577/4885ALDH1A1 584/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 TAS2R14 4500/4885FABP4 1577/4885ALDH1A1 584/4885
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC TAS2R14 4437/4885FABP4 4592/4885ALDH1A1 1967/4885

“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.