SCHEMBL3637833

SCHEMBL3637833

CN(C)c1cccc(NCc2c[nH]nc2-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.44
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
ALDH1A1 P00352 6/20 0.34
USP2 O75604 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
NTRK1 P04629 1/20 0.34
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 3/20 0.33
APP P05067 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL3636270 0.89 MAPT (0.47) NOS1MAPTTP53ALDH1A1USP2
SCHEMBL3641293 0.83 POLB (0.46) NOS1MAPTTP53ALDH1A1USP2
SCHEMBL3638148 0.83 KDM4E (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3635359 0.83 NOS1 (0.41) NOS1MAPTTP53ALDH1A1USP2
SCHEMBL3639359 0.80 MAPT (0.40) MAPTTP53ALDH1A1KMT2AGAA
SCHEMBL3639036 0.80 GRK2 (0.46) ALDH1A1USP2TDP1KDM4EPOLB
SCHEMBL3635302 0.80 MAPT (0.46) MAPTTP53ABL1MEN1KMT2A
SCHEMBL3640227 0.80 NR1H4 (0.45) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL3639976 0.80 POLB (0.37) NOS1MAPTTP53HDAC4MEF2D
SCHEMBL3633818 0.79 HDAC1 (0.49) MAPTTP53ALDH1A1MEN1KMT2A

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 NOS1 3729/4885MAPT 572/4885TP53 4848/4885

“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.