SCHEMBL10088906

SCHEMBL10088906

OCc1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
MRGPRX4 Q96LA9 7/20 0.48
TTR P02766 1/20 0.45
MAPK10 P53779 1/20 0.43
PPARA Q07869 1/20 0.43
PPARD Q03181 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK2A1 P68400 2/20 0.41

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
SCHEMBL15778975 0.87 KDM5A (0.45) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL10088945 0.85 TTR (0.43) SMN1; SMN2MAPTHSD17B10HTTMRGPRX4
Hydrochloric Acid SCHEMBL15350295 0.82 CSNK2A1 (0.60) SMN1; SMN2MAPTHSD17B10MRGPRX4PPARA
SCHEMBL16650844 0.81 KDM4E (0.43) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL16616052 0.81 KIF11 (0.42) MAPTHSD17B10TTRMEN1KMT2A
SCHEMBL10088933 0.81 S1PR1 (0.44) MAPTHSD17B10MRGPRX4MEN1KMT2A
SCHEMBL17159721 0.81 GLA (0.41) SMN1; SMN2MAPTHSD17B10MRGPRX4PPARA
SCHEMBL15351230 0.80 MRGPRX4 (0.43) MAPTHSD17B10MRGPRX4MEN1KMT2A
SCHEMBL3083420 0.79 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL22000046 0.79 TDP1 (0.51) MAPTHSD17B10MRGPRX4MEN1KMT2A

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
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
CN-104812755-B It is used as the pyrazolo pyridine derivatives of TTX S blocking agents 拉夸里亚创药株式会社 2017-08-08 CN disclosed
CN-104520296-B Pyrrolopyridinone derivatives as TTX-S blocker 拉夸里亚创药株式会社 2016-11-16 CN disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
EP-2914597-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-09-09 EP disclosed
CN-104520296-A Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC 2015-04-15 CN disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 WO disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A NPC1 1346/4885RAB9A 2061/4885SMN1; SMN2 338/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 NPC1 372/4885RAB9A 3084/4885SMN1; SMN2 1254/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G NPC1 1290/4885RAB9A 2048/4885SMN1; SMN2 372/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 NPC1 271/4885RAB9A 2932/4885SMN1; SMN2 1550/4885

“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.