SCHEMBL369702

SCHEMBL369702

CCC(O)c1nn(Cc2ccc(OC)cc2)cc1-c1nc(Nc2nsc(C)n2)sc1CO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
DHODH Q02127 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 3/20 0.30
MAPT P10636 2/20 0.30
PTGDR2 Q9Y5Y4 2/20 0.30

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
SCHEMBL370255 0.89 DHODH (0.44) DHODHMEN1KMT2AGAAMAPT
SCHEMBL368647 0.86 ACHE (0.34) HDAC1MEN1KMT2AGAAMAPT
SCHEMBL370777 0.81 MEN1 (0.36) HDAC1MEN1KMT2AMAPT
SCHEMBL15182520 0.76 MEN1 (0.38) HDAC1MEN1KMT2AMAPT
SCHEMBL370913 0.71 ACHE (0.36) HDAC1MEN1KMT2AGAAMAPT
SCHEMBL6837241 0.71 LMNA (0.35) MAPT
SCHEMBL370309 0.71 ALDH1A1 (0.45) DHODHMEN1KMT2AGAAMAPT
SCHEMBL6837327 0.71 ACHE (0.33) HDAC1
SCHEMBL15182515 0.71 MEN1 (0.42) HDAC1MEN1KMT2AMAPT
SCHEMBL370868 0.68 MKNK2 (0.35) MEN1KMT2AMAPT

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 HDAC1 967/4885DHODH 4083/4885MEN1 4328/4885

“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.