SCHEMBL5021380

SCHEMBL5021380

O=C1N[C@H](c2cccc(-c3cccnc3)n2)[C@@H](c2ccccc2)O1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.56
CYP19A1 P11511 2/20 0.43
CYP2A6 P11509 2/20 0.43
F2 P00734 1/20 0.40
HPGD P15428 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL5021379 1.00 GRM5 (0.56) GRM5CYP19A1CYP2A6F2HPGD
SCHEMBL13642328 0.94 GRM5 (0.52) GRM5CYP19A1CYP2A6F2RAB9A
SCHEMBL5021807 0.94 GRM5 (0.52) GRM5CYP19A1CYP2A6F2RAB9A
SCHEMBL5022006 0.90 GRM5 (0.63) GRM5HPGDKDM4EALDH1A1GAA
SCHEMBL5022007 0.90 GRM5 (0.63) GRM5HPGDKDM4EALDH1A1GAA
SCHEMBL5021666 0.82 GRM5 (0.60) GRM5KDM4EALDH1A1GAANPC1
SCHEMBL5021667 0.82 GRM5 (0.60) GRM5KDM4EALDH1A1GAANPC1
SCHEMBL5021574 0.82 GRM5 (0.55) GRM5
SCHEMBL5021576 0.82 GRM5 (0.55) GRM5
SCHEMBL5021742 0.81 GRM5 (0.54) GRM5KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885CYP19A1 3967/4885CYP2A6 3373/4885

“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.