SCHEMBL4425501

SCHEMBL4425501

CCOc1ccc2c(n1)CC(c1ccco1)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.58
MAPT P10636 10/20 0.58
TDP1 Q9NUW8 4/20 0.58
HSD17B10 Q99714 6/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SHMT2 P34897 1/20 0.53
GAA P10253 1/20 0.51
LMNA P02545 6/20 0.49
PKM P14618 6/20 0.49
TSHR P16473 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RECQL P46063 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 3/20 0.48
ALOX15 P16050 3/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL6045417 0.73 ALDH1A1 (1.00) ALDH1A1MAPTTDP1HSD17B10HPGD
SCHEMBL4424867 0.71 GRM5 (0.37) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL15840745 0.70 HSD17B10 (0.62) ALDH1A1MAPTTDP1HSD17B10HPGD
SCHEMBL17792864 0.70 TDP1 (1.00) ALDH1A1MAPTTDP1HSD17B10HPGD
SCHEMBL4426179 0.69 MAPT (0.49) ALDH1A1MAPTHSD17B10HPGDNPSR1
SCHEMBL7689218 0.68 ALDH1A1 (0.55) ALDH1A1MAPTTDP1HSD17B10NPSR1
SCHEMBL4426496 0.67 GRM5 (0.44) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL4429405 0.67 GRM5 (0.49) ALDH1A1HPGDNPSR1PKMSMN1; SMN2
SCHEMBL15840718 0.66 HSD17B10 (0.81) ALDH1A1MAPTTDP1HSD17B10HPGD
SCHEMBL5040304 0.65 CYP2C19 (0.59) ALDH1A1HPGDGAATSHRMEN1

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 11 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 claimed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP claimed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO claimed
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 claimed
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-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 1519/4885MAPT 882/4885TDP1 1521/4885

“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.