SCHEMBL513343

SCHEMBL513343

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nc(-c4cccs4)no3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.39
GBA1 P04062 3/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 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
SCHEMBL512730 0.85 GRM5 (0.45) GRM5RAB9AMAPTALDH1A1NPC1
SCHEMBL513812 0.85 GRM5 (0.45) GRM5RAB9AMAPTNPC1MEN1
SCHEMBL513234 0.84 GRM5 (0.42) GRM5RAB9AMAPTALDH1A1NPC1
SCHEMBL513168 0.84 GRM5 (0.42) GRM5RAB9AMAPTALDH1A1NPC1
SCHEMBL512658 0.83 GRM5 (0.48) GRM5MAPTALDH1A1MEN1KMT2A
SCHEMBL513314 0.81 NPC1 (0.44) GRM5RAB9AMAPTNPC1KMT2A
SCHEMBL513213 0.80 GRM5 (0.42) GRM5RAB9AMAPTALDH1A1NPC1
SCHEMBL514928 0.79 GRM5 (0.46) GRM5MAPTALDH1A1CYP3A4LMNA
SCHEMBL514229 0.78 GRM5 (0.44) GRM5MAPTALDH1A1MEN1KMT2A
SCHEMBL513438 0.78 GRM5 (0.42) GRM5MAPTALDH1A1CYP3A4GBA1

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 GRM5 2/4885RAB9A 2058/4885MAPT 2573/4885

“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.