SCHEMBL3636746

SCHEMBL3636746

COc1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
ROCK2 O75116 1/20 0.47
GRK2 P25098 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASR P41180 3/20 0.43
GAK O14976 1/20 0.42
IDH1 O75874 1/20 0.42
NOS1 P29475 1/20 0.42
ACP1 P24666 1/20 0.41
NTRK1 P04629 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
SCHEMBL3638627 0.90 MAPT (0.47) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3637888 0.90 CSF1R (0.42) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3640361 0.89 FLT1 (0.40) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3800645 0.88 GAA (0.40) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3636635 0.88 GRK2 (0.47) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3635323 0.87 MAPT (0.40) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL3636214 0.87 MAPT (0.49) MAPTGAAKDM4ESMN1; SMN2NPSR1
SCHEMBL3636135 0.86 ERBB2 (0.47) MAPTGAAKDM4EHPGDRAB9A
SCHEMBL3635851 0.86 ERBB2 (0.47) MAPTGAAROCK2GRK2SMN1; SMN2
SCHEMBL3633959 0.86 MAPT (0.39) HDAC1HDAC8HDAC6MAPTGAA

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 HDAC1 658/4885HDAC8 1046/4885HDAC6 721/4885

“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.