SCHEMBL4381278

SCHEMBL4381278

CCOC(=O)c1c(-c2ccc(-c3sccc3[N+](=O)[O-])cc2)c(C#N)cn1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKCZ Q05513 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
BRAF P15056 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
USP10 Q14694 1/20 0.35
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL8289279 0.88 KDM4E (0.44) KDM4EMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4372519 0.85 HRH2 (0.46) ARKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4486927 0.83 KDM4E (0.41) KDM4EMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13611812 0.83 KDM4E (0.40) KDM4EMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13863268 0.82 AR (0.41) ARKDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL4373029 0.82 KDM4E (0.40) KDM4EMAPTKMT2ASMN1; SMN2PRKCZ
SCHEMBL6065449 0.82 AR (0.51) ARMAPTKMT2ASMN1; SMN2PRKCZ
SCHEMBL4375337 0.81 KMT2A (0.40) ARKDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL4370270 0.81 GRIA4 (0.44) ARKDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL4374929 0.80 MAPT (0.39) ARKDM4EMAPTKMT2APRKCZ

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
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 3300/4885KDM4E 2620/4885MAPT 558/4885

“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.