SCHEMBL6547590

SCHEMBL6547590

CN1CCN(C(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.70
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.58
WDR5 P61964 1/20 0.50
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6545657 0.84 ABCB1 (0.75) ABCB1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6547471 0.80 KMT2A (0.64) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL7051643 0.80 ABCB1 (0.58) ABCB1ALDH1A1KMT2A
SCHEMBL6546276 0.78 MAPT (0.52) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL6811878 0.75 CYP19A1 (0.59) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL7752904 0.74 AKR1C4 (0.67) POLBKMT2AMAPT
SCHEMBL8578400 0.74 MAPT (0.73) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL27954071 0.74 ALDH1A1 (1.00) ALDH1A1GAALMNAWDR5POLB
Methyl Alcohol SCHEMBL28334259 0.73 ALDH1A1 (0.98) ALDH1A1GAALMNAWDR5POLB
SCHEMBL11147144 0.72 MAPT (0.55) ALDH1A1GAALMNAPOLBKMT2A

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 5 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

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 245/4885ALDH1A1 1419/4885GAA 1200/4885

“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.