SCHEMBL3966534

SCHEMBL3966534

[CH2]C1CNc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.49
HPGD P15428 2/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASR P41180 1/20 0.38
PARP1 P09874 1/20 0.38
HTR1A P08908 3/20 0.37
ALOX5 P09917 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23391867 0.81 NISCH (0.43) NISCHHPGDBRD4CREBBPGAA
SCHEMBL28265131 0.76 NISCH (0.49) NISCHHPGDBRD4CREBBPGAA
SCHEMBL19392968 0.76 BRD4 (0.54) NISCHHPGDBRD4CREBBPGAA
SCHEMBL214287 0.76 NISCH (0.49) NISCHHPGDBRD4CREBBPGAA
SCHEMBL517074 0.76 BRD4 (0.54) NISCHHPGDBRD4CREBBPGAA
SCHEMBL5165849 0.76 NISCH (0.49) NISCHHPGDBRD4CREBBPGAA
SCHEMBL15718086 0.76 NISCH (0.49) NISCHHPGDBRD4CREBBPGAA
SCHEMBL28265080 0.76 NISCH (0.49) NISCHHPGDBRD4CREBBPGAA
SCHEMBL3972133 0.76 NISCH (0.45) NISCHHPGDBRD4CREBBPGAA
SCHEMBL8564068 0.73 NISCH (0.46) NISCHHPGDBRD4CREBBPGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
CN-1038586-C Pyrazine derivatives and process for preparing same OTSUKA PHARMA CO LTD (JP) 1998-06-03 CN disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP 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 (1 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 NISCH 4281/4885HPGD 478/4885BRD4 2240/4885

“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.