SCHEMBL7070030

SCHEMBL7070030

COCOc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 7/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
BACE1 P56817 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL5956180 0.91 NPC1 (0.50) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL13490873 0.85 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL4142866 0.83 ALDH1A1 (0.58) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL30686627 0.83 ALDH1A1 (0.58) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL22048165 0.83 MAPT (0.58) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL28414075 0.82 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL3534158 0.82 RAB9A (0.56) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL31441975 0.81 MAPT (0.42) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL22897608 0.81 MAPT (0.42) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL2369186 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2RAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620826-B2 N-phenyl imidazole derivatives; cardiovascular disorders, hypotensive agents, kidney failure SMITHKLINE BEECHAM CORPORATION 2003-09-16 US disclosed
US-20030153567-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-08-14 US disclosed
US-20030004202-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-01-02 US disclosed
EP-0778833-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0868180-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-08-04 EP disclosed
EP-0778833-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-12-16 EP disclosed
EP-0868180-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-07 EP disclosed
WO-1997022341-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-26 WO disclosed
EP-0778833-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-18 EP disclosed
WO-1996007653-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-14 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 (2 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-20030004202-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 MAPT 3597/4885SMN1; SMN2 4449/4885RAB9A 3524/4885
US-20030153567-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 MAPT 3597/4885SMN1; SMN2 4449/4885RAB9A 3524/4885

“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.