SCHEMBL3633940

SCHEMBL3633940

CCCC(=O)c1ccc(NC(C)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C9 P11712 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
VNN1 O95497 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3639387 0.87 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4911086 0.78 HSD17B3 (0.41) SMN1; SMN2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL3634265 0.75 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL18748246 0.75 HSD17B3 (0.56) RAB9ASMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL31285576 0.75 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1CYP2C9NAMPT
SCHEMBL8877012 0.75 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1CYP2C9NAMPT
SCHEMBL3634267 0.74 ALDH1A1 (0.59) ALDH1A1NPSR1NAMPTLMNAMEN1
SCHEMBL10558458 0.74 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6000027 0.74 KDM4E (0.73) KDM4ETP53CYP2C9NAMPTLMNA
SCHEMBL552724 0.73 PLOD2 (0.61) ALDH1A1CYP2C9LMNAL3MBTL1

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 KDM4E 1894/4885NPC1 2174/4885RAB9A 2325/4885

“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.