SCHEMBL6545571

SCHEMBL6545571

C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
SMN1; SMN2 Q16637 9/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
NFKB1 P19838 2/20 0.73
NFKB2 Q00653 2/20 0.73
RELA Q04206 2/20 0.73
NPSR1 Q6W5P4 2/20 0.69
NTSR1 P30989 1/20 0.69
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
LMNA P02545 3/20 0.65
PTGS2 P35354 2/20 0.58
CYP19A1 P11511 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
USP2 O75604 1/20 0.55
THRB P10828 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 2/20 0.53

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
SCHEMBL6297373 0.89 MAPT (0.74) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6545568 0.88 MAPT (0.73) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL9861768 0.87 SMN1; SMN2 (0.58) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL21377667 0.81 ADAMTS5 (0.55) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL11005043 0.81 HPGD (0.60) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL12517075 0.81 SMN1; SMN2 (0.56) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL348043 0.80 APP (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL30341701 0.80 APP (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL30354860 0.79 CYP19A1 (0.62) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL25198581 0.78 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ANFKB1

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 14 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 claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP claimed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO claimed
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 MAPT 4832/4885SMN1; SMN2 4081/4885NPC1 1407/4885

“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.