SCHEMBL1867606

SCHEMBL1867606

COC(=O)c1cc2cccn2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
CBLB Q13191 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40

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
SCHEMBL5917937 0.84 KDM4E (0.49) CHRNA7CBLBTP53POLBALDH1A1
SCHEMBL12647741 0.82 CHRNA7 (0.48) CHRNA7CBLBTP53ALDH1A1MAPT
SCHEMBL1758975 0.80 CHRNA7 (0.49) CHRNA7CBLBKMT2ATDP1ALDH1A1
SCHEMBL16864227 0.79 CHRNA7 (0.48) CHRNA7CBLBALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL5917945 0.79 CHRNA7 (0.48) CHRNA7CBLBTDP1ALDH1A1MAPT
SCHEMBL1872546 0.75 MAPK1 (0.46) MEN1KMT2ATP53POLBTDP1
SCHEMBL30554130 0.73 PIK3C3 (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21816172 0.72 TSHR (0.46) MEN1KMT2ATP53POLBTDP1
SCHEMBL6921897 0.72 ALOX15 (0.39) CHRNA7CBLBMEN1KMT2ATDP1
SCHEMBL26650392 0.71 MAPT (0.43) MEN1KMT2ATP53POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812014-B The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof DOMAIN THERAPEUTICS (FR) 2016-01-20 CN 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
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

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 CHRNA7 94/4885CBLB 2685/4885MEN1 4725/4885

“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.