SCHEMBL460954

SCHEMBL460954

O=C(Cl)c1cn(Cc2c(F)cccc2F)nn1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.74
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KLKB1 P03952 2/20 0.51
KDM1A O60341 1/20 0.41
TGM2 P21980 2/20 0.41
PRSS12 P56730 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MARK4 Q96L34 1/20 0.39
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
Rufinamide SCHEMBL2594153 0.93 CA5A (0.87) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL460913 0.87 CA5A (0.76) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL6738882 0.85 CA5A (0.74) CA5ACYP2C19ALDH1A1LMNAKLKB1
Rufinamide SCHEMBL230448 0.85 CA5A (1.00) CA5ACYP2C19ALDH1A1LMNAKLKB1
Rufinamide SCHEMBL20769779 0.85 CA5A (1.00) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL10667399 0.84 CA5A (0.53) CA5ACYP2C19ALDH1A1LMNAKDM1A
Rufinamide SCHEMBL17372728 0.84 CA5A (0.97) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL8157820 0.83 CA5A (0.71) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL15838652 0.83 CA5A (0.75) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL15838648 0.82 CA5A (0.69) CA5ACYP2C19ALDH1A1LMNAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563766-B1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LESVI LABORATORIOS SL (ES) 2014-06-25 EP claimed
EP-2727914-A1 Polymorph of 1-(2,6-difluorobenzyl)-1h-1,2,3-triazole-carboxamide Laboratorios Lesvi, S.L. (ES) 2014-05-07 EP claimed
EP-2563766-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE Laboratorios Lesvi, S.L. (ES) 2013-03-06 EP claimed
US-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2013-02-21 US claimed
EP-2465853-A1 Polymorph of rufinamide and process for obtaining it Laboratorios Lesvi, S.L. (ES) 2012-06-20 EP claimed
WO-2011135105-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2011-11-03 WO claimed
EP-3250563-B1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2022-01-12 EP disclosed
US-11021449-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-01 US disclosed
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-12-24 US disclosed
US-10738017-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2020-08-11 US disclosed
US-20190169137-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2019-06-06 US disclosed
US-10138214-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2018-11-27 US disclosed
US-20170349558-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-12-07 US disclosed
US-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2013-02-21 US disclosed
EP-2465853-A1 Polymorph of rufinamide and process for obtaining it Laboratorios Lesvi, S.L. (ES) 2012-06-20 EP disclosed
EP-2465853-A1 Polymorph of rufinamide and process for obtaining it Laboratorios Lesvi, S.L. (ES) 2012-06-20 EP disclosed
WO-2012032540-A1 PROCESS FOR PREPARATION OF FLUORINATED TRIAZOLE COMPOUND INDOCO REMEDIES LIMITED (IN) 2012-03-15 WO disclosed
WO-2012025936-A2 IMPROVED PROCESS FOR THE PREPARATION OF RUFINAMIDE DAVULURI RAMAMOHAN RAO (IN) 2012-03-01 WO disclosed
WO-2011135105-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2011-11-03 WO disclosed
WO-2011135105-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2011-11-03 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 (7 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-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE CYP3A5, CYP3A4, CYP4B1 CA5A 69/4885CYP2C19 20/4885ALDH1A1 392/4885
US-11021449-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885
US-20170349558-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885
US-10138214-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885
US-10738017-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885
US-20190169137-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885ALDH1A1 259/4885

“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.