SCHEMBL512868

SCHEMBL512868

COc1cccc(-c2nc(C=C3CCN(c4nc(C)ccc4[N+](=O)[O-])CC3)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
S1PR1 P21453 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL512792 0.90 RXFP1 (0.52) CASP3SENP7SENP8SENP6MAPT
SCHEMBL513066 0.88 GRM5 (0.43) MAPTRXFP1NPC1RAB9AGRM5
SCHEMBL512738 0.88 RXFP1 (0.43) RXFP1S1PR1GRM5POLBTP53
SCHEMBL512774 0.88 GRM5 (0.45) MAPTRXFP1GRM5POLBTP53
SCHEMBL513207 0.86 RXFP1 (0.41) MAPTRXFP1S1PR1GRM5POLB
SCHEMBL512324 0.84 GRM5 (0.48) MAPTRXFP1S1PR1GRM5POLB
SCHEMBL512323 0.84 GRM5 (0.48) MAPTRXFP1S1PR1GRM5POLB
SCHEMBL512815 0.84 GRM5 (0.48) MAPTRXFP1S1PR1GRM5POLB
SCHEMBL512191 0.84 GRM5 (0.44) RXFP1NPC1RAB9AGRM5POLB
SCHEMBL512885 0.83 GRM5 (0.46) MAPTRXFP1NPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 CASP3 4165/4885SENP7 3588/4885SENP8 3239/4885

“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.