SCHEMBL3639620

SCHEMBL3639620

CCCC(=O)c1ccc(NCc2cc(-c3cccs3)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
THRB P10828 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL3635170 0.83 POLB (0.51) MAPTTHRBKDM4ETP53RAB9A
SCHEMBL3637335 0.80 MAPT (0.51) MAPTTHRBKDM4ETP53RAB9A
SCHEMBL3640559 0.80 FRK (0.42) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL3638224 0.74 HSD17B10 (0.50) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3633399 0.74 TP53 (0.49) MAPTTP53RAB9ASMN1; SMN2MEN1
SCHEMBL3638699 0.74 HPGDS (0.52) MAPTTP53
SCHEMBL3639184 0.73 HPGD (0.52) MAPTKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL3634740 0.73 FRK (0.46) MAPTKDM4ETP53RAB9ASMN1; SMN2
SCHEMBL4278788 0.73 RAB9A (0.50) THRBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3636017 0.72 ADORA2A (0.48) SMN1; SMN2HPGD

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 572/4885THRB 1169/4885KDM4E 1894/4885

“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.