SCHEMBL6545840

SCHEMBL6545840

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK2 O95069 1/20 0.50
KCNK10 P57789 1/20 0.50
PIN1 Q13526 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.47
RORC P51449 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL8568341 0.88 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7752904 0.84 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6811878 0.83 CYP19A1 (0.59) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7752953 0.82 PIN1 (0.56) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL11477126 0.81 MAPT (0.54) MAPTLMNAHTTPOLBSMN1; SMN2
SCHEMBL27346954 0.81 MAPT (0.56) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL8578400 0.81 MAPT (0.73) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6816296 0.81 MAPT (0.60) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL11883066 0.80 ALDH1A1 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL31541287 0.80 MEN1 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MAPT

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 AKR1C4 864/4885AKR1C3 396/4885AKR1C2 1154/4885

“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.