SCHEMBL9203992

SCHEMBL9203992

O=C1NC(c2ccccc2)C(C(=O)O)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
GRM5 P41594 8/20 0.44
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
EDNRA P25101 1/20 0.35

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
SCHEMBL5387737 1.00 CYP2D6 (0.52) CYP2D6GRM5CA2SMN1; SMN2EPHX1
SCHEMBL13642058 0.86 GRM5 (0.47) CYP2D6GRM5EDNRA
SCHEMBL29219436 0.85 EPHX1 (0.53) CYP2D6GRM5CA2SMN1; SMN2EPHX1
SCHEMBL10420999 0.84 GRM5 (0.45) CYP2D6GRM5SMN1; SMN2GAAMAPT
SCHEMBL3592758 0.83 GRM5 (0.56) GRM5
SCHEMBL4533931 0.83 GRM5 (0.44) CYP2D6GRM5MAPT
SCHEMBL4539463 0.83 GRM5 (0.44) CYP2D6GRM5MAPT
SCHEMBL4539979 0.83 GRM5 (0.71) CYP2D6GRM5
SCHEMBL12068195 0.82 CYP2D6 (0.68) CYP2D6GRM5SMN1; SMN2TDP1GAA
SCHEMBL15317934 0.82 CYP2D6 (0.68) CYP2D6GRM5SMN1; SMN2TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
WO-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 WO disclosed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
EP-0506434-B1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators SANKYO CO (JP) 1995-02-22 EP disclosed
US-5356918-A Oxazolidinone compounds and method of using the same as a vasodilator SANKYO COMPANY, LTD. (JP) 1994-10-18 US disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
US-5298516-A Treatment of cardiovascular disorders, angina SANKYO COMPANY, LIMITED (JP) 1994-03-29 US disclosed
EP-0506434-A1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators Sankyo Company Limited (JP) 1992-09-30 EP disclosed
US-4965250-A TETRAPEPTIDE; IMMUNE SYSTEM ACTIVATION ADIR ET CIE (FR) 1990-10-23 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 CYP2D6 284/4885GRM5 3964/4885CA2 551/4885

“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.