SCHEMBL20238568

SCHEMBL20238568

O=[N+]([O-])c1ccc(Oc2ccc(-n3cccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.56
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SRD5A2 P31213 1/20 0.47
SCN2A Q99250 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.46
SCN4A P35499 1/20 0.45

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
SCHEMBL2240147 0.89 SCN2A (0.56) ALDH1A1MEN1KMT2AMAPTSCN2A
SCHEMBL7123299 0.84 SCN2A (0.51) ALDH1A1MAPTMAPK1SCN2ALMNA
SCHEMBL11689190 0.81 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2011179 0.81 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AMAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.81 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9183872 0.81 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL328169 0.80 HSPB1 (0.49) HSPB1ALDH1A1MEN1KMT2AMAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.79 HSPB1 (0.76) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL457863 0.77 HSPB1 (0.68) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7013183 0.75 LTA4H (0.55) MEN1KMT2ANPSR1KDM4ELTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551608-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 EP disclosed
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 US disclosed
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-02-12 US disclosed
WO-2018107167-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 WO disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US 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 (3 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-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HSPB1 3621/4885ALDH1A1 511/4885MEN1 2536/4885
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HSPB1 3621/4885ALDH1A1 511/4885MEN1 2536/4885
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R HSPB1 3467/4885ALDH1A1 537/4885MEN1 2692/4885

“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.