SCHEMBL6418959

SCHEMBL6418959

Cc1ccc(CCCC(C/C(=N\O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADAM17 P78536 1/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 0.36
NPC1 O15118 1/20 0.35
GRIK1 P39086 1/20 0.35
XDH P47989 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL6418962 1.00 BCAT1 (0.41) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6412986 0.93 GRIK1 (0.41) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6412989 0.93 GRIK1 (0.41) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6418854 0.91 BCAT1 (0.41) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6418855 0.91 BCAT1 (0.41) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6418844 0.91 MMP12 (0.40) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6418847 0.91 MMP12 (0.40) BCAT1MMP12MMP13CYP1A2CYP2D6
SCHEMBL6412875 0.90 NPC1 (0.42) MMP12MMP13CYP2C19RAB9AMAPT
SCHEMBL6412878 0.90 NPC1 (0.42) MMP12MMP13CYP2C19RAB9AMAPT
SCHEMBL6413385 0.87 MMP12 (0.44) BCAT1MMP12MMP13CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828726-B1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2001-10-04 EP claimed
US-5665764-A FOR TREATING DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT COMPANY (US) 1997-09-09 US claimed
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
EP-0828726-B1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2001-10-04 EP disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
US-5958972-A TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, CANCER METASTASIS, TUMOR ANGIOGENESIS, ARTHRITIS, MULTIPLE SCLEROSIS, AND AUTOIMMUNE OR INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1999-09-28 US disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO 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
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 BCAT1 1525/4885MMP12 21/4885MMP13 13/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 BCAT1 1525/4885MMP12 21/4885MMP13 13/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 BCAT1 1525/4885MMP12 21/4885MMP13 13/4885

“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.