SCHEMBL4561822

SCHEMBL4561822

CC(C)=NOC(=O)c1ccn([N+](=O)[O-])n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.31
XDH P47989 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8682493 0.75 TSHR (0.36) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL221953 0.73 AKR1C3 (0.38) SMN1; SMN2NPC1RAB9AL3MBTL1TSHR
SCHEMBL221637 0.71 NPC1 (0.38) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL1883397 0.70 CYP3A4 (0.43) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL7759714 0.63
SCHEMBL173628 0.60 F2 (0.46) SMN1; SMN2POLBPKMALDH1A1MEN1
SCHEMBL18463797 0.60
SCHEMBL8970161 0.59 SMN1; SMN2 (0.44) SMN1; SMN2MAPTPKM
SCHEMBL92008 0.59 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL7756006 0.57 PKM (0.35) SMN1; SMN2POLBMAPTPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8318741-B2 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-11-27 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120115959-A1 Therapeutic Compositions And Methods PDE6C, PDE6H, PDE6D SMN1; SMN2 315/4885POLB 3074/4885NPC1 1501/4885
US-20120071485-A1 Therapeutic Compositions And Methods PDE6H, PDE6C, PDE6D SMN1; SMN2 179/4885POLB 3479/4885NPC1 1199/4885
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D SMN1; SMN2 179/4885POLB 3479/4885NPC1 1199/4885
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D SMN1; SMN2 179/4885POLB 3479/4885NPC1 1199/4885

“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.