SCHEMBL8288405

SCHEMBL8288405

CCOC(=O)c1c(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c(C#N)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
CTRB1 P17538 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2C9 P11712 2/20 0.39

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
SCHEMBL6065449 0.91 AR (0.51) ARMAPTKMT2AMEN1RAB9A
SCHEMBL8287320 0.89 SLC6A2 (0.46) ARKDM4EALDH1A1MAPTLMNA
SCHEMBL8288508 0.88 KDM4E (0.47) KDM4ELTA4HPTGS2ALDH1A1MAPT
SCHEMBL4562563 0.86 HRH2 (0.42) ELANEKDM4EPTGS2ALDH1A1HTT
SCHEMBL4373016 0.86 MAP2K1 (0.50) KDM4EPTGS2ALDH1A1HTTTDP1
SCHEMBL4470142 0.85 KDM4E (0.45) ARKDM4EALDH1A1HTTTDP1
SCHEMBL4375337 0.83 KMT2A (0.40) ARF2KDM4ELTA4HPTGS2
SCHEMBL8289475 0.82 GRIA2 (0.52) ARF2PLAUELANECTRB1
SCHEMBL6065452 0.82 MAP2K1 (0.43) KDM4EPTGS2ALDH1A1HTTTDP1
SCHEMBL8289330 0.82 KDM4E (0.48) ELANEKDM4EPTGS2ALDH1A1HTT

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 AR 3300/4885F2 2827/4885PLAU 4389/4885

“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.