SCHEMBL4432701

SCHEMBL4432701

COc1ccc(-c2ccc3c(n2)CC2(CCCC2)CC3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 7/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL4433223 0.86 MAP4K4 (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL4424104 0.85 MAP4K4 (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL4424331 0.82 TSHR (0.38) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL4432311 0.78 NPC1 (0.44) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL4422696 0.72 GRM5 (0.46) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL4424254 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL4423838 0.69 CYP2C19 (0.38) ALDH1A1KDM4ENPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL4433071 0.69 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL4420855 0.69 CYP2C19 (0.50) ALDH1A1TP53HTTGAACYP2C19
SCHEMBL5035946 0.68 PDE1A (0.34) ALDH1A1HTR1ACYP2C19

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 13 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-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP 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
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 1519/4885KDM4E 2508/4885NPC1 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.