SCHEMBL4430798

SCHEMBL4430798

O=C1CC(c2ccccc2)Cc2nc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 7/20 0.50
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44

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
SCHEMBL7683241 0.81 TSHR (0.58) TSHRMAPTMEN1CASP1CASP7
SCHEMBL4425687 0.77 MAPT (0.47) TSHRMAPTMEN1CASP1CASP7
Hydrochloric Acid SCHEMBL4424111 0.76 TSHR (0.46) TSHRMAPTMEN1CASP1CASP7
SCHEMBL4429739 0.76 MAPT (0.49) TSHRMAPTMEN1CASP1CASP7
SCHEMBL18257983 0.76 GRM5 (0.54) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL25732097 0.74 CYP19A1 (0.54) TSHRMAPTMEN1CASP1CASP7
SCHEMBL4430763 0.74 GRM5 (0.46) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL1780049 0.73 ALDH1A1 (0.66) TSHRMAPTCASP1ALDH1A1HSP90AA1
SCHEMBL4426179 0.72 MAPT (0.49) TSHRMAPTMEN1CASP1CASP7
SCHEMBL4422372 0.72 LMNA (0.46) TSHRMAPTMEN1CASP1CASP7

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 9 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
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
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-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
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 TSHR 1005/4885MAPT 882/4885MEN1 4608/4885

“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.