SCHEMBL4434849

SCHEMBL4434849

O=C(O)CC/C(=N\O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HDAC8 Q9BY41 2/20 0.51
HAO1 Q9UJM8 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HDAC1 Q13547 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4434852 1.00 ALDH1A1 (0.54) ALDH1A1HDAC8HAO1FFAR1LMNA
SCHEMBL7764810 0.83 KMT2A (0.56) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL6412854 0.83 ALDH1A1 (0.54) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL4426383 0.83 HDAC8 (0.48) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL10021382 0.83 HDAC8 (0.48) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL4426389 0.83 HDAC8 (0.48) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL6412848 0.83 ALDH1A1 (0.54) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL7764807 0.83 KMT2A (0.56) ALDH1A1HDAC8FFAR1LMNACYP1A2
SCHEMBL6929421 0.82 ALDH1A1 (0.56) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL6929424 0.82 ALDH1A1 (0.56) ALDH1A1LMNARAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239288-B1 RHEUMATIC DISEASES WARNER-LAMBERT COMPANY 2001-05-29 US claimed
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-04-26 US claimed
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP claimed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO 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-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-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO 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
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP 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
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 ALDH1A1 203/4885HDAC8 977/4885HAO1 743/4885
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 ALDH1A1 573/4885HDAC8 878/4885HAO1 1275/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 ALDH1A1 1290/4885HDAC8 2476/4885HAO1 4452/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 ALDH1A1 366/4885HDAC8 2841/4885HAO1 3529/4885

“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.