SCHEMBL4912128

SCHEMBL4912128

Cc1[nH]c(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 2/20 0.47
PTPN11 Q06124 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPKAPK2 P49137 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL4909172 0.90 MAPT (0.49) PTPN1MAPTTP53RXFP1KCNH2
SCHEMBL5263131 0.80 HPGD (0.52) MAPTALDH1A1HPGDMAPKAPK2
SCHEMBL29717252 0.79 TOP2A (0.56)
SCHEMBL11457930 0.74 MEN1 (0.61) PTPN1MAPTTP53RXFP1KDM4E
SCHEMBL5504372 0.73 PTPN1 (0.76) PTPN1MAPTTP53RXFP1KDM4E
SCHEMBL4903739 0.73 SCN10A (0.51)
SCHEMBL5508682 0.73 PTPN1 (0.67) PTPN1MAPTTP53RXFP1KDM4E
SCHEMBL4901768 0.72 DAO (0.46)
SCHEMBL4908579 0.72 KMO (0.48)
SCHEMBL4909723 0.72 TOP2A (0.49)

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 4 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 claimed
EP-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP claimed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO claimed
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 PTPN1 2483/4885MAPT 2515/4885TP53 579/4885

“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.