SCHEMBL14802407

SCHEMBL14802407

COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
SNCA P37840 1/20 0.57
ABCG2 Q9UNQ0 2/20 0.56
HTT P42858 1/20 0.54
ALOX5 P09917 1/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.53
APP P05067 1/20 0.52

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
SCHEMBL14802389 0.94 SMN1; SMN2 (0.63) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL7245504 0.86 MAPT (0.69) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL7237063 0.84 HTT (0.76) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL2061754 0.79 ALOX5 (0.77) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2633343 0.79 ALOX5 (0.77) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL18416918 0.79 HTT (0.68) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL4254980 0.79 TP53 (0.75) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8713312 0.79 MEN1 (0.81) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL27451088 0.79 SNCA (0.57) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
Hydrochloric Acid SCHEMBL9423776 0.78 ALOX5 (0.75) MAPTKMT2ASMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035057-B2 Dihydroethidine analogues and uses thereof WASHINGTON UNIVERSITY (US) 2015-05-19 US disclosed
US-9035057-B2 Dihydroethidine analogues and uses thereof WASHINGTON UNIVERSITY (US) 2015-05-19 US disclosed
US-20130079522-A1 DIHYDROETHIDINE ANALOGUES AND USES THEREOF WASHINGTON UNIVERSITY (US) 2013-03-28 US disclosed
US-20130079522-A1 DIHYDROETHIDINE ANALOGUES AND USES THEREOF WASHINGTON UNIVERSITY (US) 2013-03-28 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 (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-20130079522-A1 DIHYDROETHIDINE ANALOGUES AND USES THEREOF NOX4, QDPR, ROS1 MAPT 2035/4885KMT2A 4305/4885SMN1; SMN2 3134/4885

“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.