SCHEMBL4426528

SCHEMBL4426528

CC1(C)CC(=O)c2cc(C#N)c(Cl)nc2C1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4420030 0.81 POLB (1.00) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4423550 0.78 POLB (0.75) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4432937 0.77 POLB (0.59) POLBALDH1A1HTT
SCHEMBL4420051 0.76 POLB (0.72) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4421502 0.75 POLB (0.57) POLBALDH1A1HTT
SCHEMBL4421913 0.75 POLB (0.57) POLBALDH1A1HTT
SCHEMBL4429758 0.75 POLB (0.70) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4426644 0.75 SMN1; SMN2 (0.58) ALDH1A1HTTTSHRMAPK1RAB9A
SCHEMBL4423273 0.74 POLB (0.56) POLBALDH1A1HTTTSHRMAPK1
SCHEMBL4427115 0.74 POLB (0.56) POLBALDH1A1HTTRAB9A

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 POLB 4712/4885ALDH1A1 1519/4885HTT 355/4885

“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.