SCHEMBL4907523

SCHEMBL4907523

CCOC(=O)c1cncc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 7/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 4/20 0.52
AR P10275 3/20 0.51
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
PRKCZ Q05513 1/20 0.48

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
SCHEMBL6433000 0.86 MAPT (0.60) MAOBCYP2C9CYP2C19MAPTRAB9A
SCHEMBL29960870 0.84 NPC1 (0.61) MAOBCYP2C9CYP2C19MAPTGAA
SCHEMBL29083934 0.84 NPC1 (0.61) MAOBCYP2C9CYP2C19MAPTGAA
SCHEMBL28362521 0.83 KCNJ1 (0.64) MAPTGAARAB9AARNPC1
SCHEMBL640338 0.82 CYP2C9 (0.59) MAOBCYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL8622944 0.81 CYP2C19 (0.57) CYP2C9CYP2C19MAPTRAB9ANPC1
SCHEMBL4908272 0.81 LMNA (0.59) CYP2C9CYP2C19MAPTGAARAB9A
SCHEMBL5372083 0.81 CYP2C9 (0.65) CYP2C9CYP2C19MAPTGAAHPGD
SCHEMBL640295 0.80 CYP11B1 (0.60) MAOBCYP2C9CYP2C19MAPTGAA
SCHEMBL17461847 0.79 ALDH1A1 (0.52) CYP2C9CYP2C19MAPTGAAHPGD

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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B MAOB 1608/4885CYP2C9 215/4885CYP2C19 118/4885

“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.