SCHEMBL365650

SCHEMBL365650

COc1ccc(Cn2cc3c(n2)CC(OC)CC(Br)C3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.46
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CMA1 P23946 1/20 0.36
CASP3 P42574 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 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
SCHEMBL7684049 0.88 AADAT (0.47) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL365671 0.86 AADAT (0.43) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL6837143 0.81 AADAT (0.45) AADATMEN1KMT2ACMA1GSK3A
SCHEMBL365744 0.81 AADAT (0.47) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL365853 0.81 AADAT (0.45) AADATMEN1KMT2ACMA1GSK3A
SCHEMBL15182502 0.79 AADAT (0.43) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL365849 0.79 AADAT (0.44) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL366319 0.75 AADAT (0.47) AADATMEN1KMT2ACMA1GSK3A
SCHEMBL29191609 0.75 AADAT (0.51) AADATMEN1NPC1RAB9AKMT2A
SCHEMBL29191592 0.75 AADAT (0.51) AADATMEN1NPC1RAB9AKMT2A

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
US-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 AADAT 837/4885MEN1 4328/4885NPC1 1787/4885

“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.