SCHEMBL3635679

SCHEMBL3635679

COc1cccc(NCc2c[nH]nc2-c2cccs2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
RPS6KB2 Q9UBS0 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL3634725 0.90 SMN1; SMN2 (0.46) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3637447 0.83 KMT2A (0.49) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3639383 0.83 LMNA (0.47) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3637889 0.81 KMT2A (0.49) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3633663 0.81 GAA (0.44) ALDH1A1KDM4EGAAMAPK1TSHR
SCHEMBL3638003 0.80 ADRA2C (0.46) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL3639168 0.79 SMN1; SMN2 (0.44) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3633818 0.79 HDAC1 (0.49) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3641293 0.79 POLB (0.46) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3641222 0.78 HPGD (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A

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 ALDH1A1 3335/4885KDM4E 1894/4885GAA 2566/4885

“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.