SCHEMBL4426644

SCHEMBL4426644

N#Cc1cc2c(nc1Cl)CCCC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CYP11B2 P19099 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NSD2 O96028 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 3/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
G6PD P11413 1/20 0.38

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
SCHEMBL4552829 0.78 KDM4E (0.65) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL18248812 0.77 NPC1 (0.44) SMN1; SMN2ALDH1A1KDM4ETSHRNPC1
SCHEMBL16019318 0.77 SMN1; SMN2 (0.93) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL29375167 0.77 SMN1; SMN2 (0.93) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL4422365 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL22089493 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL13673758 0.76 KDM4E (0.60) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL7913275 0.76 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL23782905 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR
SCHEMBL22115640 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPSR1KDM4ETSHR

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 SMN1; SMN2 884/4885ALDH1A1 1519/4885NPSR1 1318/4885

“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.