SCHEMBL796632

SCHEMBL796632

O=C(O)c1ccc(CCC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
P4HA1 P13674 3/20 0.47
P4HTM Q9NXG6 2/20 0.47
MIF P14174 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL21078958 0.87 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2717504 0.81 MAPK1 (0.51) L3MBTL1ALDH1A1GABRA5MAPT
SCHEMBL152571 0.79 P4HA1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL796738 0.78 ALDH1A1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL28664825 0.77 GABRP (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL28079313 0.77 P4HA1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL21787687 0.77 P4HA1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL27738856 0.77 NAPRT (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL565981 0.77 HCAR3 (0.58) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL27191301 0.77 P4HA1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
EP-2841421-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
WO-2013161308-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885CYP1A2 32/4885
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A L3MBTL1 1939/4885ALDH1A1 2669/4885CYP1A2 3374/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A L3MBTL1 2429/4885ALDH1A1 1358/4885CYP1A2 1397/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALDH1A1 439/4885CYP1A2 32/4885

“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.