SCHEMBL15636690

SCHEMBL15636690

O=C(O)c1cccnc1Nc1cccc(F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.78
DHODH Q02127 8/20 0.72
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
ALDH1A1 P00352 3/20 0.70
PKM P14618 2/20 0.70
GMNN O75496 1/20 0.70
TTR P02766 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
NFKB1 P19838 1/20 0.70
UGT1A1 P22309 1/20 0.70
PTGS1 P23219 1/20 0.70
PTGS2 P35354 1/20 0.70
PMP22 Q01453 1/20 0.70
TEAD4 Q15561 1/20 0.70
HIF1A Q16665 1/20 0.70
GPR35 Q9HC97 1/20 0.70
TDP1 Q9NUW8 1/20 0.70

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
SCHEMBL15635771 0.88 DHODH (0.76) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL9496511 0.87 LMNA (1.00) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL22492826 0.87 LMNA (0.70) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL2410062 0.85 LMNA (0.72) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL6324644 0.84 DHODH (0.72) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL15636491 0.84 DHODH (1.00) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL479877 0.83 DHODH (1.00) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL10144303 0.83 MEN1 (0.71) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL4905983 0.83 DHODH (0.72) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL15635777 0.83 LMNA (0.58) LMNADHODHMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 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 (1 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 LMNA 1569/4885DHODH 4334/4885MEN1 3912/4885

“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.