SCHEMBL4556063

SCHEMBL4556063

O=C(CCC(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1)NO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.62
HDAC8 Q9BY41 6/20 0.62
SIGMAR1 Q99720 1/20 0.54
USP5 P45974 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
DRD2 P14416 1/20 0.50
MMP1 P03956 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
MMP3 P08254 1/20 0.45

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
SCHEMBL4427532 0.87 USP5 (0.66) HDAC1HDAC8SIGMAR1USP5HDAC6
SCHEMBL7740668 0.83 HDAC6 (0.55) HDAC1HDAC8HDAC6DRD2ALDH1A1
SCHEMBL5254053 0.79 USP2 (0.64) SIGMAR1ALDH1A1LMNAKMT2AMMP2
SCHEMBL3384299 0.77 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL15801111 0.76 NPC1 (0.54) SIGMAR1ALDH1A1LMNAKMT2AMMP2
Hydrochloric Acid SCHEMBL6132927 0.76 USP2 (0.60) SIGMAR1ALDH1A1LMNAGAAKMT2A
SCHEMBL4434657 0.75 MMP2 (0.56) USP5MMP1LMNAGAAKMT2A
SCHEMBL6134737 0.75 USP2 (0.59) SIGMAR1ALDH1A1LMNAKMT2AMMP2
SCHEMBL6413429 0.75 RAD52 (0.47) SIGMAR1USP5HDAC6DRD2ALDH1A1
SCHEMBL4659847 0.75 SIGMAR1 (0.47) HDAC1SIGMAR1USP5HDAC6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876343-B1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2002-03-13 EP claimed
US-6008220-A A GELATINASE A INHIBITOR FOR TREATING MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING, CANCER WARNER LAMBERT COMPANY (US) 1999-12-28 US claimed
EP-0876343-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-11-11 EP claimed
WO-1997023459-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US disclosed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP 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
EP-0876343-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-11-11 EP 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
WO-1997023459-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (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-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 HDAC1 192/4885HDAC8 472/4885SIGMAR1 140/4885
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 HDAC1 192/4885HDAC8 472/4885SIGMAR1 140/4885
US-20100199361-A1 Role of Proteoglycans in Drug Dependence OGFR, CSGALNACT1, OPRL1 HDAC1 192/4885HDAC8 472/4885SIGMAR1 140/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 HDAC1 837/4885HDAC8 2476/4885SIGMAR1 1841/4885

“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.