SCHEMBL8288508

SCHEMBL8288508

Cn1cc(C#N)c(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LPAR3 Q9UBY5 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPY5R Q15761 1/20 0.42
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MCL1 Q07820 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
RAB9A P51151 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
PYGL P06737 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8288405 0.88 AR (0.42) KDM4ELPAR3CYP2C9CYP2C19LTA4H
SCHEMBL8289600 0.85 GRIA4 (0.45) KDM4EGRIA2GRIA4ALDH1A1
SCHEMBL8288507 0.85 GRIA2 (0.44) FFAR1GRIA2GRIA4
SCHEMBL8289608 0.84 GRIA2 (0.45) FFAR1GRIA2GRIA4
SCHEMBL8289552 0.80 GRIA4 (0.46) KDM4EMEN1KMT2ARAB9AGRIA2
SCHEMBL8289606 0.79 GRIA4 (0.47) KDM4ECYP2C9CYP2C19MEN1KMT2A
SCHEMBL8289610 0.78 GRIA4 (0.40) CYP2C9CYP2C19GRIA2GRIA4
SCHEMBL6065449 0.77 AR (0.51) MEN1KMT2ARAB9AMAPT
SCHEMBL8287320 0.76 SLC6A2 (0.46) KDM4ECYP2C9CYP2C19MEN1KMT2A
SCHEMBL8289429 0.75 GRIA4 (0.48) GRIA2GRIA4ALDH1A1

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
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
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 KDM4E 2620/4885LPAR3 851/4885CYP2C9 2022/4885

“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.