SCHEMBL6549530

SCHEMBL6549530

CCCCCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
CYP19A1 P11511 3/20 0.44
ESPL1 Q14674 1/20 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
SCHEMBL3477025 0.98 KCNH2 (0.49) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL11783489 0.98 KCNH2 (0.49) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL7921397 0.95 TDP1 (0.51) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL7122749 0.88 TDP1 (0.55) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL16497028 0.88 CYP3A4 (0.50) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL22271648 0.85 ALDH1A1 (0.52) TDP1ALDH1A1HTTPOLBTSHR
SCHEMBL2566274 0.84 CYP3A4 (0.53) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL460989 0.83 HTT (0.66) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL28488451 0.83 ALDH1A1 (0.47) TDP1ALDH1A1HTTPOLBTSHR
SCHEMBL899647 0.83 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1HTTTSHR

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 7 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-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO disclosed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 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 TDP1 4770/4885CYP3A4 447/4885ALDH1A1 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.