SCHEMBL4424040

SCHEMBL4424040

N#Cc1cc2c(nc1SCc1ccccc1)CCCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
NPSR1 Q6W5P4 8/20 1.00
KDM4E B2RXH2 4/20 1.00
TSHR P16473 4/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
PPARG P37231 3/20 0.71
NCOA2 Q15596 3/20 0.71
TP53 P04637 3/20 0.71
NCOA1 Q15788 2/20 0.71
NCOA3 Q9Y6Q9 2/20 0.71
RXFP1 Q9HBX9 2/20 0.71
ESR2 Q92731 1/20 0.71
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
NPC1 O15118 3/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 3/20 0.60
ALOX15 P16050 3/20 0.57
HSD17B10 Q99714 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57

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
SCHEMBL19521572 0.81 ALDH1A1 (0.68) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4427151 0.81 ALDH1A1 (0.68) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4563486 0.79 ALDH1A1 (0.70) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4552829 0.77 KDM4E (0.65) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4423263 0.77 RAB9A (0.72) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL13673758 0.75 KDM4E (0.60) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL5046079 0.75 ALDH1A1 (0.60) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4421527 0.75 ALDH1A1 (0.60) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL4421919 0.73 ALDH1A1 (0.58) ALDH1A1NPSR1KDM4ETSHRL3MBTL1
SCHEMBL8282928 0.72 TSHR (0.57) ALDH1A1NPSR1KDM4ETSHRL3MBTL1

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 ALDH1A1 1519/4885NPSR1 1318/4885KDM4E 2508/4885

“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.