SCHEMBL436753

SCHEMBL436753

CO/N=C(\COc1ccc(CBr)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.59
SLC6A4 P31645 1/20 0.43
GSK3B P49841 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
DRD4 P21917 2/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.38
PTPN1 P18031 1/20 0.37
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10260024 1.00 FFAR1 (0.59) FFAR1SLC6A4GSK3BCES2CES1
SCHEMBL436754 1.00 FFAR1 (0.59) FFAR1SLC6A4GSK3BCES2CES1
SCHEMBL434118 0.88 FFAR1 (0.59) FFAR1SLC6A4GSK3BMAPTSMN1; SMN2
SCHEMBL434119 0.88 FFAR1 (0.59) FFAR1SLC6A4GSK3BMAPTSMN1; SMN2
SCHEMBL10267037 0.88 FFAR1 (0.59) FFAR1SLC6A4GSK3BMAPTSMN1; SMN2
SCHEMBL22668296 0.87 FFAR1 (0.64) FFAR1SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL10260740 0.87 FFAR1 (0.58) FFAR1SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL15239272 0.86 FFAR1 (0.47) FFAR1SLC6A4GSK3BMAPTSMN1; SMN2
SCHEMBL15239273 0.86 FFAR1 (0.47) FFAR1SLC6A4GSK3BMAPTSMN1; SMN2
SCHEMBL15239457 0.85 FFAR1 (0.46) FFAR1MAPTSMN1; SMN2L3MBTL1TDP1

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-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2013057743-A1 PROCESS FOR THE PREPARATION OF AN ARYL OXIME AND SALTS THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD (IN) 2013-04-25 WO disclosed
WO-2013057743-A1 PROCESS FOR THE PREPARATION OF AN ARYL OXIME AND SALTS THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD (IN) 2013-04-25 WO disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 FFAR1 24/4885SLC6A4 986/4885GSK3B 3909/4885

“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.