SCHEMBL4373435

SCHEMBL4373435

CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(-c2sccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 5/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
MEN1 O00255 3/20 0.37
RXFP1 Q9HBX9 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM6 O15303 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4372506 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4374929 0.88 MAPT (0.39) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4375217 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4375249 0.83 HTT (0.49) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4369440 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL8289279 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4375542 0.76 IMPDH2 (0.47) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL8289772 0.76 GRIA2 (0.46) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL8288397 0.73 GRIA2 (0.54) ALDH1A1KDM4EHPGD
SCHEMBL24392515 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDKMT2ALMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 ALDH1A1 2211/4885KDM4E 2620/4885HPGD 1113/4885

“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.