SCHEMBL6545573

SCHEMBL6545573

CN1CCN(C(C(=O)Nc2ccc(NC(=O)C=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.58
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7051643 1.00 ABCB1 (0.58) ABCB1MEN1ALDH1A1ALOX12RAB9A
SCHEMBL7048231 0.81 MEN1 (0.46) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL6546494 0.81 MEN1 (0.46) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL6547590 0.80 ABCB1 (0.70) ABCB1ALDH1A1KMT2A
SCHEMBL6546015 0.79 MEN1 (0.52) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL7052138 0.79 MEN1 (0.52) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL7054241 0.78 MEN1 (0.47) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL7053860 0.77 KMT2A (0.47) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL7051477 0.75 KMT2A (0.45) MEN1ALDH1A1ALOX12RAB9AKMT2A
SCHEMBL6545781 0.72 MEN1 (0.46) MEN1ALDH1A1ALOX12RAB9AKMT2A

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 245/4885MEN1 3863/4885ALDH1A1 1419/4885

“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.