SCHEMBL795973

SCHEMBL795973

N#Cc1ccc(COCC(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CHEK1 O14757 6/20 0.34
DGAT1 O75907 1/20 0.34
TRPA1 O75762 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL1585201 0.79 ALOX5AP (0.37) ALOX5APFEN1CHEK1RAB9APOLB
SCHEMBL29601639 0.77 TRPA1 (0.40) ALDH1A1CHEK1DGAT1TRPA1
SCHEMBL17395028 0.77 TRPA1 (0.40) ALDH1A1CHEK1DGAT1TRPA1
SCHEMBL27001735 0.76 ALOX5AP (0.38) ALDH1A1ALOX5APFEN1CHEK1EGLN1
SCHEMBL3923709 0.76 ALDH1A1 (0.46) ALDH1A1RAB9A
SCHEMBL795938 0.76 ALDH1A1 (0.46) ALDH1A1TRPA1RAB9APOLB
SCHEMBL1145962 0.75 ALOX5AP (0.38) ALOX5APFEN1CHEK1POLBEGLN1
SCHEMBL1145967 0.75 ALOX5AP (0.38) ALDH1A1ALOX5APFEN1CHEK1RAB9A
SCHEMBL24146512 0.72 GAA (0.38) ALOX5APFEN1CHEK1
SCHEMBL14153372 0.72 BRD4 (0.36) ALOX5APFEN1CHEK1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 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-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885ALOX5AP 305/4885FEN1 4868/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885ALOX5AP 305/4885FEN1 4868/4885

“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.