SCHEMBL4429709

SCHEMBL4429709

CC1(C)CC(=O)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 5/20 0.60
KDM4E B2RXH2 5/20 0.60
LMNA P02545 5/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 2/20 0.60
MEN1 O00255 2/20 0.60
NPC1 O15118 2/20 0.60
HPGD P15428 2/20 0.60
KMT2A Q03164 2/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 2/20 0.57
GAA P10253 4/20 0.52
GLA P06280 2/20 0.52
MITF O75030 1/20 0.47

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
SCHEMBL4420051 0.76 POLB (0.72) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL4432612 0.74 ALDH1A1 (0.70) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL4420030 0.74 POLB (1.00) ALDH1A1MAPTKDM4ELMNARAB9A
SCHEMBL4423550 0.71 POLB (0.75) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL4426528 0.67 POLB (0.67) ALDH1A1RAB9ATSHRMAPK1POLB
SCHEMBL4421502 0.66 POLB (0.57) ALDH1A1MAPTLMNATP53POLB
Hydrochloric Acid SCHEMBL4432944 0.66 POLB (0.54) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL4423273 0.66 POLB (0.56) ALDH1A1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL4420196 0.66 POLB (0.53) ALDH1A1KDM4EHPGDPOLB
SCHEMBL5035975 0.65 POLB (0.52) ALDH1A1POLBHTT

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 10 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
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 882/4885KDM4E 2508/4885

“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.