SCHEMBL3635672

SCHEMBL3635672

Clc1ccccc1NCc1c[nH]nc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HIF1A Q16665 1/20 0.39
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EPHB3 P54753 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL3638176 0.90 MAPT (0.43) MAPTHPGDALDH1A1GAANPSR1
SCHEMBL3640108 0.87 LMNA (0.42) MAPTHPGDALDH1A1GAALMNA
SCHEMBL3638754 0.87 KMT2A (0.41) MAPTHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL3638003 0.85 ADRA2C (0.46) MAPTALDH1A1GAANPSR1LMNA
SCHEMBL3636396 0.85 L3MBTL1 (0.43) MAPTHPGDALDH1A1GAALMNA
SCHEMBL3634725 0.83 SMN1; SMN2 (0.46) MAPTHPGDALDH1A1GAAROCK2
SCHEMBL3637346 0.82 KMT2A (0.42) MAPTHPGDALDH1A1GAAROCK2
SCHEMBL3635764 0.81 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3633663 0.81 GAA (0.44) MAPTHPGDALDH1A1GAANPSR1
SCHEMBL3638150 0.80 ALDH1A1 (0.42) MAPTHPGDALDH1A1GAANPSR1

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 MAPT 572/4885HPGD 994/4885ALDH1A1 3335/4885

“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.