SCHEMBL4375217

SCHEMBL4375217

CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
NPSR1 Q6W5P4 4/20 0.49
HTT P42858 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 8/20 0.45
HPGD P15428 7/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
TDP1 Q9NUW8 6/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
XBP1 P17861 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL4375249 0.88 HTT (0.49) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL4375542 0.87 IMPDH2 (0.47) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL8289772 0.84 GRIA2 (0.46) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL4373435 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL11037745 0.81 PIM1 (0.44) ALDH1A1NPSR1HTTKDM4EHPGD
SCHEMBL26113942 0.80 ALDH1A1 (0.50) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL31189689 0.80 ALDH1A1 (0.50) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL1126789 0.80 ALDH1A1 (0.52) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL4372506 0.79 ALDH1A1 (0.38) ALDH1A1NPSR1HTTRXFP1KDM4E
SCHEMBL4374929 0.77 MAPT (0.39) ALDH1A1KDM4EHPGDLMNAMAPT

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-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
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP 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 2211/4885NPSR1 143/4885HTT 2176/4885

“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.