SCHEMBL513770

SCHEMBL513770

BrCc1nnn(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ABCG2 Q9UNQ0 5/20 0.46
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ABCB1 P08183 2/20 0.37
P2RX7 Q99572 1/20 0.37
GRM5 P41594 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
STAT1 P42224 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7152057 0.90 HPGD (0.48) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL512253 0.82 HPGD (0.63) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL4407303 0.81 HPGD (0.57) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL2895023 0.80 GRM5 (0.44) HPGDNPC1RAB9AMAPTPKM
SCHEMBL4409289 0.79 HPGD (0.55) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL4409279 0.78 HPGD (0.54) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL24658718 0.77 HPGD (0.53) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL4405944 0.77 HPGD (0.53) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL27631975 0.77 HPGD (0.56) HPGDABCG2NPC1RAB9AKDM4E
SCHEMBL1059718 0.77 HPGD (0.74) HPGDABCG2NPC1RAB9AKDM4E

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
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 HPGD 1718/4885ABCG2 1051/4885NPC1 4017/4885

“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.