SCHEMBL790264

SCHEMBL790264

Nc1nc2ccc(Cl)cc2cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
KLK7 P49862 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GPR35 Q9HC97 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IKBKB O14920 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL790477 0.98 PRNP (0.52) PRNPKLK7ALDH1A1CYP2C9PTGES
Lithium SCHEMBL790479 0.98 PRNP (0.52) PRNPKLK7ALDH1A1CYP2C9PTGES
SCHEMBL11548569 0.87 IKBKB (0.63) PRNPKLK7ALDH1A1HPGDHSD17B10
Lithium Ion SCHEMBL790478 0.84 PRNP (0.51) PRNPKLK7ALDH1A1CYP2C9PTGES
SCHEMBL2310035 0.83 ALDH1A1 (0.50) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL8540585 0.83 IKBKB (0.49) ALDH1A1CYP2C9ALOX5HPGDCASP7
SCHEMBL30682029 0.83 ALDH1A1 (0.50) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL2532082 0.80 KMT2A (0.71) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL28234137 0.80 MEN1 (0.49) PRNPALDH1A1CYP2C9PTGESALOX5
SCHEMBL790106 0.78 ADORA2A (0.55) PRNPKLK7ALDH1A1HPGDHSD17B10

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 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 (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 PRNP 1140/4885KLK7 2524/4885ALDH1A1 4071/4885

“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.