SCHEMBL1869252

SCHEMBL1869252

COC(=O)c1cc2c(cn1)ncn2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
TNF P01375 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
MMP13 P45452 3/20 0.46
BRD4 O60885 1/20 0.45
NR1I2 O75469 2/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL2945788 0.88 MMP13 (0.48) ALDH1A1SMN1; SMN2CYP11B1CYP11B2HDAC1
SCHEMBL1867752 0.86 CYP11B1 (0.55) ALDH1A1SMN1; SMN2CYP11B1CYP11B2TNF
SCHEMBL19953258 0.86 IDO1 (0.46) ALDH1A1SMN1; SMN2MMP13FLT3
SCHEMBL17807884 0.81 BRD4 (0.59) ALDH1A1SMN1; SMN2CYP11B1CYP11B2TNF
SCHEMBL30202437 0.81 BRD4 (0.59) ALDH1A1SMN1; SMN2CYP11B1CYP11B2TNF
SCHEMBL19076019 0.80 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HDAC1
SCHEMBL7814456 0.79 FGFR1 (0.64) CYP11B1CYP11B2TNFHDAC1HDAC8
SCHEMBL2946785 0.79 CYP11B1 (0.46) ALDH1A1SMN1; SMN2CYP11B1CYP11B2MMP13
SCHEMBL2945167 0.78 PPARG (0.48) HDAC6
SCHEMBL2943246 0.76 MMP13 (0.50) ALDH1A1SMN1; SMN2CYP11B1CYP11B2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
EP-2493871-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2012-09-05 EP disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 WO disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 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-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM2 ALDH1A1 2995/4885SMN1; SMN2 1664/4885CYP11B1 709/4885

“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.