SCHEMBL434112

SCHEMBL434112

CON=C(CBr)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.70
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.42
DRD4 P21917 4/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 1/20 0.38
CES2 O00748 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
SCHEMBL437419 1.00 GSK3B (0.70) GSK3BATMPTPN1DRD4DRD2
SCHEMBL28778258 1.00 GSK3B (0.70) GSK3BATMPTPN1DRD4DRD2
SCHEMBL2046346 0.83 DRD4 (0.50) GSK3BATMDRD4DRD2LMNA
SCHEMBL2046347 0.83 DRD4 (0.50) GSK3BATMDRD4DRD2LMNA
SCHEMBL7871655 0.82 GSK3B (0.73) GSK3BDRD4DRD2LMNASLC6A4
SCHEMBL3612594 0.82 GSK3B (0.73) GSK3BLMNAL3MBTL1MEN1ALDH1A1
SCHEMBL13142483 0.82 GSK3B (0.73) GSK3BLMNAL3MBTL1MEN1ALDH1A1
SCHEMBL5334985 0.82 GSK3B (0.50) GSK3BLMNAMEN1ALDH1A1CYP2C9
SCHEMBL5312481 0.82 GSK3B (0.50) GSK3BLMNAMEN1ALDH1A1CYP2C9
SCHEMBL8017485 0.82 GSK3B (0.47) GSK3BATMDRD4DRD2LMNA

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
WO-2015028960-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-03-05 WO 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-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 GSK3B 3909/4885ATM 4366/4885PTPN1 2995/4885

“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.