SCHEMBL3972659

SCHEMBL3972659

[CH2]Oc1cc(CC)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 1/20 0.45
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SLC2A1 P11166 1/20 0.40
PDE10A Q9Y233 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GPR3 P46089 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL8290938 0.85 LMNA (0.58) AGTR1AGTR2HPGDLMNASMN1; SMN2
SCHEMBL8673288 0.84 MEN1 (0.48) HPGDLMNASMN1; SMN2NCF1KDM4E
SCHEMBL3975907 0.77 CYP1A2 (0.58) HPGDLMNASMN1; SMN2NCF1KDM4E
SCHEMBL3969028 0.77 KDM4E (0.44) AGTR1AGTR2HPGDSMN1; SMN2NCF1
SCHEMBL5538132 0.77 KDM4E (0.51) AGTR1AGTR2HPGDSMN1; SMN2NCF1
SCHEMBL88762 0.77 NCF1 (0.52) AGTR1AGTR2NCF1
SCHEMBL9184895 0.77 KDM4E (0.50) HPGDKDM4EALDH1A1GAAGPR3
SCHEMBL23716946 0.76 NCF1 (0.51) AGTR1AGTR2NCF1PDE10A
SCHEMBL30388939 0.76 NCF1 (0.51) AGTR1AGTR2NCF1PDE10A
SCHEMBL3969032 0.75 CYP1A2 (0.60) HPGDLMNASMN1; SMN2KDM4EPDE10A

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 7 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
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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 (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 AGTR1 624/4885AGTR2 1224/4885HPGD 478/4885

“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.