SCHEMBL3494003

SCHEMBL3494003

O=C(O)CC/C(=N\O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
TTR P02766 2/20 0.49
LMNA P02545 1/20 0.49
BCAT1 P54687 5/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACSL1 P33121 2/20 0.43
ACSL6 Q9UKU0 2/20 0.43
HTR2B P41595 1/20 0.42
KEAP1 Q14145 1/20 0.41
IDO1 P14902 2/20 0.40

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
SCHEMBL3494005 1.00 NPSR1 (0.49) NPSR1TTRLMNABCAT1CYP1A2
Furobufen SCHEMBL43450 0.84 CYP1A2 (0.58) NPSR1TTRLMNABCAT1CYP1A2
Furobufen SCHEMBL30901203 0.84 CYP1A2 (0.58) NPSR1TTRLMNABCAT1CYP1A2
SCHEMBL8012440 0.80 BCAT1 (0.46) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8012438 0.80 BCAT1 (0.46) TTRLMNABCAT1NPC1RAB9A
Furobufen SCHEMBL10427960 0.78 SMN1; SMN2 (0.65) NPSR1TTRLMNABCAT1CYP1A2
SCHEMBL11846734 0.77 NPSR1 (0.60) NPSR1TTRLMNACYP1A2NPC1
SCHEMBL6421340 0.76 TTR (0.41) TTRLMNABCAT1CYP1A2NPC1
SCHEMBL6421339 0.76 TTR (0.41) TTRLMNABCAT1CYP1A2NPC1
SCHEMBL16448159 0.76 TTR (0.58) TTRLMNABCAT1NPC1RAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119489-A1 Stimulation of Pancreatic Beta Cell Proliferation STOFFEL MARKUS 2010-05-13 US claimed
EP-0828726-B1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2001-10-04 EP claimed
EP-0828726-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP claimed
US-5665764-A FOR TREATING DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT COMPANY (US) 1997-09-09 US claimed
WO-1996038434-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO claimed
EP-2605013-A1 Stimulation of pancreatic beta-cell proliferation THE ROCKEFELLER UNIVERSITY (US) 2013-06-19 EP disclosed
US-20100119489-A1 Stimulation of Pancreatic Beta Cell Proliferation STOFFEL MARKUS 2010-05-13 US disclosed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
EP-0828726-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5665764-A FOR TREATING DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT COMPANY (US) 1997-09-09 US disclosed
US-5627206-A TREATING MULTIPLE SCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-05-06 US disclosed
WO-1996038434-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1996-12-05 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 (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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPSR1 4183/4885TTR 1627/4885LMNA 1874/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPSR1 4183/4885TTR 1627/4885LMNA 1874/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPSR1 4183/4885TTR 1627/4885LMNA 1874/4885

“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.