SCHEMBL6545874

SCHEMBL6545874

CCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46

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
SCHEMBL6546452 0.94 ABCB1 (0.52) ABCB1
SCHEMBL7755331 0.92 ALDH1A1 (0.49) ABCB1
SCHEMBL6545613 0.92 ABCB1 (0.47) ABCB1
SCHEMBL6545867 0.86 ABCB1 (0.50) ABCB1
SCHEMBL2226912 0.84 ABCB1 (0.58) ABCB1
SCHEMBL7051491 0.78 ABCB1 (0.44) ABCB1
SCHEMBL7051490 0.78 ABCB1 (0.44) ABCB1
SCHEMBL6546175 0.74 PKM (0.55)
SCHEMBL12919766 0.73 ALDH1A1 (0.62)
SCHEMBL9667027 0.72 SOAT2 (0.72)

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
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 ABCB1 245/4885

“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.