SCHEMBL3640227

SCHEMBL3640227

Cc1ccc(NCc2c[nH]nc2-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
MAPT P10636 7/20 0.44
HTT P42858 2/20 0.42
APP P05067 1/20 0.42
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL3639359 0.90 MAPT (0.40) NR1H4MAPTAPPALDH1A1KDM4E
SCHEMBL3641130 0.87 NR1H4 (0.46) NR1H4MAPTHTTALDH1A1KDM4E
SCHEMBL3637346 0.87 KMT2A (0.42) NR1H4MAPTHTTALDH1A1KDM4E
SCHEMBL3636270 0.86 MAPT (0.47) MAPTHTTAPPALDH1A1KDM4E
SCHEMBL3640828 0.85 KDM4E (0.47) NR1H4MAPTKDM4EKMT2AMEN1
SCHEMBL3637037 0.84 GAA (0.46) NR1H4MAPTHTTAPPALDH1A1
SCHEMBL3633954 0.84 MAPT (0.45) NR1H4MAPTAPPALDH1A1KDM4E
SCHEMBL3634544 0.84 FFAR1 (0.41) NR1H4MAPTALDH1A1GAAKMT2A
SCHEMBL3633818 0.83 HDAC1 (0.49) MAPTHTTALDH1A1KDM4EGAA
SCHEMBL3635764 0.83 MAPT (0.44) MAPTALDH1A1KMT2AMEN1LMNA

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 NR1H4 402/4885MAPT 572/4885HTT 335/4885

“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.