SCHEMBL15635397

SCHEMBL15635397

COc1cccc(Nc2ncccc2C(=O)O)c1F

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.66
HTT P42858 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.59
MAPK1 P28482 1/20 0.59
HDAC6 Q9UBN7 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL15636098 0.90 DHODH (0.54) DHODHHTTMEN1KMT2APKM
SCHEMBL20294285 0.88 DHODH (0.67) DHODHHTTMEN1KMT2APKM
SCHEMBL17110886 0.85 DHODH (0.64) DHODHHTTMEN1KMT2APKM
SCHEMBL1487202 0.83 DHODH (0.78) DHODHHTTMEN1KMT2APKM
SCHEMBL15635970 0.81 MAPT (0.49) DHODHHTTMEN1KMT2APKM
SCHEMBL729168 0.80 DHODH (1.00) DHODHHTTMEN1KMT2APKM
SCHEMBL17110914 0.78 MAPT (0.48) DHODHHTTMEN1KMT2AHDAC6
SCHEMBL15635046 0.78 MAPT (0.48) DHODHHTTMEN1KMT2AMAPK1
SCHEMBL17112675 0.78 MAPT (0.48) DHODHHTTMEN1KMT2AMAPK1
SCHEMBL17112625 0.78 MAPT (0.48) DHODHHTTMEN1KMT2AMAPK1

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 6 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
WO-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO 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 DHODH 4334/4885HTT 987/4885MEN1 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.