SCHEMBL4552829

SCHEMBL4552829

CSc1nc2c(cc1C#N)C(=O)CCC2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
POLB P06746 1/20 0.64
NPC1 O15118 2/20 0.63
MAPT P10636 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 8/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTT P42858 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4423263 0.80 RAB9A (0.72) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4563486 0.79 ALDH1A1 (0.70) KDM4EPOLBNPC1MAPTRAB9A
SCHEMBL1101890 0.79 KDM4E (1.00) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4426644 0.78 SMN1; SMN2 (0.58) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4424040 0.77 ALDH1A1 (1.00) KDM4EPOLBNPC1MAPTRAB9A
SCHEMBL1101908 0.76 KDM4E (0.94) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4422365 0.73 ALDH1A1 (0.52) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL13673758 0.72 KDM4E (0.60) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4421928 0.70 KDM4E (0.47) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4423371 0.70 ALDH1A1 (0.51) KDM4ENPC1MAPTRAB9AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 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-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C KDM4E 2508/4885POLB 4712/4885NPC1 1137/4885

“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.