SCHEMBL4909172

SCHEMBL4909172

COC(=O)c1ccc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
PTPN1 P18031 2/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CNR1 P21554 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
ADORA2A P29274 1/20 0.46
OPRM1 P35372 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAPKAPK2 P49137 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4912128 0.90 PTPN1 (0.50) MAPTPTPN1TP53RXFP1KCNH2
SCHEMBL4910656 0.76 PTPN11 (0.46) PTPN1
SCHEMBL5263131 0.74 HPGD (0.52) MAPTMAPKAPK2MEN1KMT2AALDH1A1
SCHEMBL4900067 0.74 DAO (0.44) MAPTMEN1KMT2ADAO
SCHEMBL4910421 0.74 NPC1 (0.42) MAPTTP53
SCHEMBL4907263 0.74 IKBKE (0.44) MAPTMEN1KMT2ADAO
SCHEMBL4909641 0.74 KDM4E (0.47) SCN10A
SCHEMBL7936582 0.73 LMNA (0.47) MAPTPTPN1TP53RXFP1MAPKAPK2
SCHEMBL25002899 0.73 ALDH1A1 (0.65) MAPTPTPN1TP53RXFP1HTR1A
SCHEMBL4906966 0.72 IKBKE (0.42) MAPTMEN1KMT2A

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 6 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
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 MAPT 2515/4885PTPN1 2483/4885TP53 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.