SCHEMBL461525

SCHEMBL461525

Cc1c(C(=O)O)nnn1Cc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CA5A P35218 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
PTGES O14684 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KLKB1 P03952 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
TP53 P04637 1/20 0.37
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 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
SCHEMBL10662727 0.87 CA5A (0.52) CA5AHPGDKDM4EALDH1A1KLKB1
SCHEMBL17283078 0.85 TP53 (0.49) CA5APTGESALDH1A1TP53
SCHEMBL15937242 0.84 HTT (0.49) HTTHPGDKDM4EALDH1A1KMT2A
SCHEMBL11010308 0.80 CA5A (0.41) CA5AKDM4EALDH1A1PTGDR2SLC22A12
SCHEMBL2368039 0.80 KDM4E (0.50) HTTHPGDNPC1KDM4EALDH1A1
SCHEMBL795210 0.79 HPGD (0.68) HTTHPGDKLKB1CYP19A1KMT2A
SCHEMBL2368342 0.78 POLB (0.53) HTTHPGDALDH1A1KLKB1PTGDR2
SCHEMBL9857412 0.75 CA5A (0.55) CA5AHPGDKDM4EALDH1A1KLKB1
SCHEMBL10670780 0.75 TP53 (0.58) HTTCA5APTGESALDH1A1TP53
SCHEMBL2367846 0.75 HPGD (0.54) HTTHPGDPTGESKDM4EKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207938-A1 Process for the Preparation of Rufinamide CIPLA LIMITED (IN) 2011-08-25 US claimed
EP-2334653-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE Cilpa Limited (IN) 2011-06-22 EP claimed
WO-2010043849-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2010-04-22 WO claimed
US-20140357871-A1 PROCESS FOR PREPARATION OF RUFINAMIDE LUPIN LIMITED (IN) 2014-12-04 US disclosed
WO-2014121383-A1 A PROCESS FOR THE PREPARATION OF RUFINAMIDE AND INTERMEDIATES THEREOF APOTEX TECHNOLOGIES INC. (CA) 2014-08-14 WO disclosed
WO-2013105029-A1 PROCESS FOR PREPARATION OF RUFINAMIDE LUPIN LIMITED (IN) 2013-07-18 WO disclosed
US-8183269-B2 Process for the preparation of rufinamide CIPLA LIMITED (IN) 2012-05-22 US disclosed
WO-2012032540-A1 PROCESS FOR PREPARATION OF FLUORINATED TRIAZOLE COMPOUND INDOCO REMEDIES LIMITED (IN) 2012-03-15 WO disclosed
US-20110207938-A1 Process for the Preparation of Rufinamide CIPLA LIMITED (IN) 2011-08-25 US disclosed
US-20110207938-A1 Process for the Preparation of Rufinamide CIPLA LIMITED (IN) 2011-08-25 US disclosed
WO-2010043849-A8 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2011-06-30 WO disclosed
EP-2334653-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE Cilpa Limited (IN) 2011-06-22 EP disclosed
EP-2334653-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE Cilpa Limited (IN) 2011-06-22 EP disclosed
WO-2010043849-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2010-04-22 WO disclosed
WO-2010043849-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2010-04-22 WO disclosed
US-4789680-A Aralkyltriazole compounds CIBA-GEIGY CORPORATION (US) 1988-12-06 US disclosed
EP-0199262-A2 Fluorinated benzyl triazole compounds CIBA-GEIGY AG (CH) 1986-10-29 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 (2 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-20140357871-A1 PROCESS FOR PREPARATION OF RUFINAMIDE ADH5, ADH1C, ADH1A HTT 4169/4885CA5A 1070/4885HPGD 3367/4885
US-20110207938-A1 Process for the Preparation of Rufinamide AZI2, F13A1, RTN3 HTT 3970/4885CA5A 2300/4885HPGD 2967/4885

“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.