SCHEMBL4374929

SCHEMBL4374929

CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(-c2sccc2[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
AR P10275 4/20 0.39
PRKCZ Q05513 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.34
BRAF P15056 1/20 0.34
LMNA P02545 1/20 0.33
USP10 Q14694 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
CACNA1D Q01668 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
SCHEMBL4373435 0.88 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL4372506 0.83 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4381278 0.80 AR (0.39) MAPTARPRKCZALDH1A1KDM4E
SCHEMBL4386448 0.78 AR (0.40) MAPTARPRKCZALDH1A1KDM4E
SCHEMBL4375217 0.77 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4375249 0.77 HTT (0.49) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL6065007 0.77 AR (0.37) MAPTARPRKCZALDH1A1KDM4E
SCHEMBL13863268 0.76 AR (0.41) MAPTARPRKCZALDH1A1KDM4E
SCHEMBL4370270 0.75 GRIA4 (0.44) MAPTARPRKCZALDH1A1KDM4E
SCHEMBL4370222 0.73 AR (0.39) MAPTARPRKCZALDH1A1KDM4E

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 3 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

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 MAPT 558/4885AR 3300/4885PRKCZ 579/4885

“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.