SCHEMBL4375337

SCHEMBL4375337

CCOC(=O)c1c(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)c(C#N)cn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR55 Q9Y2T6 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 4/20 0.40
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 4/20 0.38
RAB9A P51151 1/20 0.38
MAP2K1 Q02750 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL4372519 0.87 HRH2 (0.46) KMT2ASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL6065449 0.86 AR (0.51) KMT2ASMN1; SMN2MEN1ARRAB9A
SCHEMBL4373016 0.84 MAP2K1 (0.50) KMT2ASMN1; SMN2GPR55L3MBTL1MEN1
SCHEMBL8288405 0.83 AR (0.42) KMT2AGPR55L3MBTL1MEN1NPSR1
SCHEMBL4371248 0.82 GRIA2 (0.52) LTA4HPTGS1PTGS2AR
SCHEMBL4558565 0.81 MEN1 (0.48) KMT2AGPR55L3MBTL1MEN1NPSR1
SCHEMBL4381278 0.81 AR (0.39) KMT2ASMN1; SMN2KDM4EALDH1A1AR
SCHEMBL6065452 0.81 MAP2K1 (0.43) KMT2ASMN1; SMN2GPR55L3MBTL1MEN1
SCHEMBL8289330 0.80 KDM4E (0.48) KMT2ASMN1; SMN2GPR55L3MBTL1MEN1
SCHEMBL8288366 0.80 KDM4E (0.53) KMT2ASMN1; SMN2GPR55L3MBTL1MEN1

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 KMT2A 3400/4885SMN1; SMN2 4724/4885GPR55 99/4885

“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.