SCHEMBL6412875

SCHEMBL6412875

COc1ccc(CCCC(C/C(=N\O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.38
PTGER4 P35408 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6412878 1.00 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL6412989 0.91 GRIK1 (0.41) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6412986 0.91 GRIK1 (0.41) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6418959 0.90 BCAT1 (0.41) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL6418962 0.90 BCAT1 (0.41) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL6418855 0.88 BCAT1 (0.41) MAPTCYP2C19MMP12MMP13PPARG
SCHEMBL6418847 0.88 MMP12 (0.40) NPC1RAB9ALMNACYP2C19MMP12
SCHEMBL6418854 0.88 BCAT1 (0.41) MAPTCYP2C19MMP12MMP13PPARG
SCHEMBL6418844 0.88 MMP12 (0.40) NPC1RAB9ALMNACYP2C19MMP12
SCHEMBL6416486 0.86 MMP12 (0.42) NPC1RAB9AALDH1A1HPGDLMNA

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 NPC1 290/4885RAB9A 1279/4885ALDH1A1 1814/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPC1 290/4885RAB9A 1279/4885ALDH1A1 1814/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPC1 290/4885RAB9A 1279/4885ALDH1A1 1814/4885

“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.