SCHEMBL4906340

SCHEMBL4906340

CCOC(=O)c1cncc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 2/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP17A1 P05093 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCL2 P10415 1/20 0.40
ATM Q13315 2/20 0.39
SREBF2 Q12772 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29719412 0.82 CYP2C19 (0.54) LMNACYP2C9CYP2C19NAMPTMAPT
SCHEMBL4398673 0.82 CYP2C19 (0.54) LMNACYP2C9CYP2C19NAMPTMAPT
SCHEMBL1810634 0.77 NAMPT (0.45) NAMPTMAPTKDM4ENPSR1CYP17A1
SCHEMBL4909589 0.77 MAPT (0.44) LMNAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL4908827 0.76 CYP2C9 (0.52) LMNACYP2C9CYP2C19MAPTKDM4E
SCHEMBL9237307 0.76 CYP17A1 (0.48) NAMPTCYP17A1BCL2SREBF2
SCHEMBL12582106 0.76 PTPN2 (0.48) NAMPTCYP17A1BCL2
SCHEMBL273218 0.75 PDK1 (0.60) NAMPTMAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL25260252 0.75 MAOB (0.52) LMNAMAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL30529285 0.75 MAOB (0.52) LMNAMAPTKDM4ENPSR1SMN1; SMN2

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 1 patent. 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

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 LMNA 1835/4885CYP2C9 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.