SCHEMBL3128646

SCHEMBL3128646

O=C(O)c1ncc(Cl)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.42
GLA P06280 2/20 0.41
HPGD P15428 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
CCR9 P51686 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMO O15229 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL31214075 0.86 HCAR2 (0.37) ASPHTRPM8GLAHPGDEGLN1
SCHEMBL30401147 0.84 ALDH1A1 (0.42) ASPHTRPM8GLAHPGDHTT
SCHEMBL23012605 0.80 ASPH (0.46) ASPHGLAHPGDEGLN1MRGPRX4
SCHEMBL1106061 0.79 ASPH (0.45) ASPHGLAHPGDHCAR2KMO
SCHEMBL17047064 0.79 ASPH (0.45) ASPHGLAHPGDHCAR2KMO
SCHEMBL875231 0.76 HCAR2 (0.42) ASPHHCAR2KMOLMNAKDM4E
SCHEMBL287761 0.75 LMNA (0.47) GLAHPGDHCAR2LMNASMN1; SMN2
SCHEMBL3128651 0.75 L3MBTL1 (0.39) ASPHTRPM8GLAEGLN1MRGPRX4
SCHEMBL10328704 0.75 ASPH (0.41) ASPHMRGPRX4HTTMAPTKDM4E
Hydrochloric Acid SCHEMBL7687784 0.74 HCAR2 (0.41) ASPHHCAR2KMOLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165957-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 WO disclosed
EP-4238972-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer AG (DE) 2023-09-06 EP disclosed
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
CN-103459386-B N- (1,2, 5-oxadiazol-3-yl) pyridinecarboxamides and their use as herbicides 拜耳知识产权有限责任公司 2016-06-22 CN disclosed
US-9035064-B2 N-(1,2,5-oxadiazol-3-yl)pyridinecarboxamides and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
EP-2686316-B1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2015-04-22 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20140066301-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
EP-2686316-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-01-22 EP disclosed
WO-2012123416-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-09-20 WO disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 ASPH 4557/4885TRPM8 4484/4885GLA 1236/4885
US-20140066301-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES CBR3, PRDX4, PRDX1 ASPH 724/4885TRPM8 4359/4885GLA 2765/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 ASPH 4493/4885TRPM8 4350/4885GLA 1811/4885

“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.