SCHEMBL4432092

SCHEMBL4432092

O=C(O)CCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
NR4A2 P43354 1/20 0.61
LMNA P02545 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
FFAR1 O14842 1/20 0.59
CYP1A2 P05177 1/20 0.59
HIF1A Q16665 1/20 0.59
HTR1A P08908 4/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL3381406 0.89 HDAC1 (0.75) HDAC1HDAC8LMNAHTR1AALDH1A1
SCHEMBL10704692 0.85 GSK3B (0.67) HDAC1HDAC8NR4A2LMNARAB9A
SCHEMBL4427532 0.84 USP5 (0.66) HDAC1HDAC8NR4A2LMNARAB9A
SCHEMBL4472849 0.83 ALDH1A1 (0.70) HDAC1HDAC8LMNARAB9ASMN1; SMN2
SCHEMBL10422121 0.83 SIGMAR1 (0.64) HTR1A
SCHEMBL14375117 0.82 THRA (0.69) HTR1AKMT2A
SCHEMBL10422086 0.82 SIGMAR1 (0.65) HTR1A
Hydrochloric Acid SCHEMBL10423469 0.81 SIGMAR1 (0.64) HTR1A
SCHEMBL3083321 0.81 MAPT (0.71) LMNARAB9ASMN1; SMN2HTR1AALDH1A1
SCHEMBL351997 0.79 HTR1A (0.81) HTR1AALDH1A1MAPTKMT2A

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 39 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
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
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 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
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 (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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 HDAC1 541/4885HDAC8 977/4885NR4A2 1038/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 HDAC1 837/4885HDAC8 2476/4885NR4A2 1217/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 HDAC1 2910/4885HDAC8 2841/4885NR4A2 2746/4885

“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.