SCHEMBL221637

SCHEMBL221637

CONC(=O)c1ccn([N+](=O)[O-])n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GSTP1 P09211 2/20 0.36
GSTM2 P28161 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRR1 P24046 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2493703 0.83 KMT2A (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8682493 0.77 TSHR (0.36) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL221953 0.75 AKR1C3 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL4561822 0.71 SMN1; SMN2 (0.37) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL22479596 0.67 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1883397 0.67 CYP3A4 (0.43) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL18171707 0.66 BRD4 (0.43) KMT2ASMN1; SMN2
SCHEMBL7759714 0.65
SCHEMBL173628 0.65 F2 (0.46) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL20029175 0.65 CHRM2 (0.42) NPC1RAB9AKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508182-B1 Hydralazine for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2016-07-06 EP disclosed
EP-2508183-B1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2014-07-09 EP disclosed
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 US disclosed
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 US disclosed
US-8318741-B2 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-11-27 US disclosed
US-8318741-B2 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-11-27 US disclosed
EP-2508182-A1 Hydralazine for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
EP-2508183-A1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-08-02 US disclosed
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-08-02 US disclosed
US-20120115959-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-05-10 US disclosed
US-20120115959-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-05-10 US disclosed
US-20120071485-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-03-22 US disclosed
US-20120071485-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-03-22 US disclosed
US-8088773-B2 Therapeutic compositions and methods THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-8088773-B2 Therapeutic compositions and methods THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
EP-1885371-A1 THERAPEUTIC COMPOSITIONS AND METHODS The Texas A & M University System (US) 2008-02-13 EP disclosed
US-20060276458-A1 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM 2006-12-07 US disclosed
WO-2006124324-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2006-11-23 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 (5 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-20060276458-A1 Therapeutic compositions and methods PDE6H, PDE6C, PDE6D NPC1 1199/4885RAB9A 3764/4885GSTP1 2732/4885
US-20120115959-A1 Therapeutic Compositions And Methods PDE6C, PDE6H, PDE6D NPC1 1501/4885RAB9A 3784/4885GSTP1 2009/4885
US-20120071485-A1 Therapeutic Compositions And Methods PDE6H, PDE6C, PDE6D NPC1 1199/4885RAB9A 3764/4885GSTP1 2732/4885
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D NPC1 1199/4885RAB9A 3764/4885GSTP1 2732/4885
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D NPC1 1199/4885RAB9A 3764/4885GSTP1 2732/4885

“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.