SCHEMBL4432336

SCHEMBL4432336

CCC1CCc2nc(-c3ccccc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.38
CYP24A1 Q07973 3/20 0.37
CYP27A1 Q02318 2/20 0.37
CYP19A1 P11511 1/20 0.36
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PDE4B Q07343 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL4433213 0.83 CYP24A1 (0.43) CYP26A1CYP24A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL30646096 0.80 MELK (0.35) CYP26A1CYP24A1CYP27A1CYP19A1DHODH
SCHEMBL4419499 0.79 CYP19A1 (0.38) CYP26A1CYP24A1CYP27A1CYP19A1
SCHEMBL4423354 0.75 NPC1 (0.41) CYP26A1CYP24A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL11643793 0.75 GRM5 (0.45) DHODHALDH1A1KMT2AL3MBTL1PDE4B
Hydrochloric Acid SCHEMBL4432412 0.74 NPC1 (0.40) CYP26A1CYP24A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL4420235 0.74 CYP24A1 (0.42) CYP26A1CYP24A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL30646115 0.73 CYP26A1 (0.47) CYP26A1CYP24A1CYP27A1CYP19A1DHODH
SCHEMBL5039087 0.72 GRM5 (0.57) SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL30558432 0.72 GRM5 (0.57) SMN1; SMN2ALDH1A1KMT2AL3MBTL1

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 4 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-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 CYP26A1 2188/4885CYP24A1 3463/4885CYP27A1 2007/4885

“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.