SCHEMBL3637889

SCHEMBL3637889

COc1ccc(NCc2c[nH]nc2-c2cccs2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NFKB1 P19838 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 4/20 0.44
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.41

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
SCHEMBL3637447 0.91 KMT2A (0.49) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3634725 0.86 SMN1; SMN2 (0.46) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3641130 0.84 NR1H4 (0.46) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3641293 0.82 POLB (0.46) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3641222 0.82 HPGD (0.43) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3635679 0.81 ALDH1A1 (0.41) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3633818 0.80 HDAC1 (0.49) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3639383 0.80 LMNA (0.47) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3633954 0.79 MAPT (0.45) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3639626 0.78 ACP1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 KMT2A 595/4885MEN1 4628/4885MAPT 572/4885

“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.