SCHEMBL512836

SCHEMBL512836

COc1ccc(Cn2nc(C=C3CCN(c4nc(C)ccc4[N+](=O)[O-])CC3)cc2-c2cccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.37
GRM5 P41594 3/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GBA1 P04062 2/20 0.34
BMP1 P13497 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
HTT P42858 3/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL513438 0.83 GRM5 (0.42) GRM5ALDH1A1MAPTGBA1CYP3A4
SCHEMBL513168 0.76 GRM5 (0.42) GRM5ALDH1A1MAPTSMN1; SMN2GBA1
SCHEMBL514229 0.75 GRM5 (0.44) GRM5ALDH1A1MAPTGBA1CYP3A4
SCHEMBL513213 0.74 GRM5 (0.42) GRM5ALDH1A1MAPTGBA1CYP3A4
SCHEMBL512730 0.72 GRM5 (0.45) GRM5ALDH1A1MAPTSMN1; SMN2GBA1
SCHEMBL513234 0.71 GRM5 (0.42) GRM5ALDH1A1MAPTSMN1; SMN2GBA1
SCHEMBL513343 0.71 GRM5 (0.42) GRM5ALDH1A1MAPTSMN1; SMN2GBA1
SCHEMBL512328 0.69 GRM5 (0.48) GRM5ALDH1A1MAPTCYP3A4
SCHEMBL512205 0.69 GRM5 (0.42) GRM5ALDH1A1MAPTGBA1CYP3A4
SCHEMBL512736 0.68 GRM5 (0.45) GRM5ALDH1A1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DCTPP1 4744/4885GRM5 2/4885ALDH1A1 2610/4885

“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.