SCHEMBL4033472

SCHEMBL4033472

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)c3ccc[nH]3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 12/20 0.51

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
SCHEMBL4032565 0.91 SLC9A3 (0.61) SLC9A3
SCHEMBL13285852 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL4032049 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL4031985 0.84 SLC9A3 (0.48) SLC9A3
SCHEMBL4032076 0.83 SLC9A3 (0.49) SLC9A3
SCHEMBL4031638 0.83 SLC9A3 (0.56) SLC9A3
SCHEMBL2576031 0.83 SLC9A3 (0.54) SLC9A3
SCHEMBL4025753 0.83 SLC9A3 (0.53) SLC9A3
SCHEMBL4031112 0.82 SLC9A3 (0.48) SLC9A3
SCHEMBL23469864 0.82 SLC9A3 (0.55) SLC9A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
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
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
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 SLC9A3 4224/4885

“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.