SCHEMBL2315331

SCHEMBL2315331

NC(Cc1ccc(Oc2ccc3cc(Br)cnc3n2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
TPH1 P17752 8/20 0.42
PTPN1 P18031 2/20 0.42
PCNA P12004 1/20 0.41
SLC7A5 Q01650 4/20 0.41
PTGS1 P23219 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2315325 1.00 ITGB3 (0.44) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2312907 0.83 ITGB3 (0.49) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2313852 0.83 ITGB3 (0.49) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2312684 0.75 SLC7A5 (0.51) ITGB3ITGA2BTPH1PTPN1SLC7A5
SCHEMBL2310157 0.75 KDM4E (0.51) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2310168 0.75 KDM4E (0.51) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2312120 0.74 CYP3A4 (0.43) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2312128 0.74 CYP3A4 (0.43) ITGB3ITGA2BTPH1PTPN1PCNA
SCHEMBL2311021 0.74 PCNA (0.49) ITGB3ITGA2BPTPN1PCNASLC7A5
SCHEMBL2307418 0.74 ITGB3 (0.49) ITGB3ITGA2BTPH1PTPN1PCNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ITGB3 4771/4885ITGA2B 4271/4885TPH1 280/4885

“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.