SCHEMBL6546276

SCHEMBL6546276

O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 4/20 0.52
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
LMNA P02545 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
PIN1 Q13526 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6547471 0.86 KMT2A (0.64) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL7752904 0.81 AKR1C4 (0.67) MAPTMEN1KMT2AAKR1C4AKR1C3
SCHEMBL6811878 0.80 CYP19A1 (0.59) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL11883066 0.80 ALDH1A1 (0.63) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL8568341 0.80 AKR1C4 (0.52) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL7752953 0.79 PIN1 (0.56) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL8578400 0.79 MAPT (0.73) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL27346954 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1AKR1C4
SCHEMBL6547590 0.78 ABCB1 (0.70) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL6545840 0.77 AKR1C4 (0.52) MAPTMEN1KMT2AALDH1A1AKR1C4

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 MAPT 4832/4885MEN1 3863/4885KMT2A 1743/4885

“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.