SCHEMBL1375048

SCHEMBL1375048

CCOC(=O)c1ccc(C(F)(F)F)nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
IDO1 P14902 1/20 0.49
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 7/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 5/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 4/20 0.46
TSHR P16473 4/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1007071 0.86 ALDH1A1 (0.51) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5265221 0.85 ALDH1A1 (0.53) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL31697314 0.85 KDM4E (0.50) KDM4ENPC1ALDH1A1RAB9ATSHR
SCHEMBL1498542 0.85 KDM4E (0.50) KDM4ENPC1ALDH1A1RAB9ATSHR
SCHEMBL24834467 0.84 KDM4E (0.48) KDM4EIDO1ALDH1A1MAPTHSD17B10
SCHEMBL4192553 0.84 KDM4E (0.58) KDM4EIDO1NPC1ALDH1A1RAB9A
SCHEMBL28944494 0.84 KDM4E (0.48) KDM4EIDO1NPC1SMN1; SMN2ALDH1A1
SCHEMBL29827383 0.84 KDM4E (0.48) KDM4EIDO1NPC1SMN1; SMN2ALDH1A1
SCHEMBL125591 0.83 TUBB4A (0.53) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6216482 0.82 KDM4E (0.47) KDM4EIDO1NPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP claimed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO claimed
CN-104822653-B N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists 奥赖恩公司 2017-03-08 CN disclosed
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
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US 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 (3 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 KDM4E 2575/4885IDO1 1015/4885NPC1 4847/4885
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 3536/4885IDO1 695/4885NPC1 1446/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK KDM4E 376/4885IDO1 42/4885NPC1 3973/4885

“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.