SCHEMBL3972779

SCHEMBL3972779

COc1nc2ccccc2n1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 6/20 0.47
HTT P42858 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL13071550 0.84 CYP1A2 (0.59) LMNAMAPK1KDM4EHTTNPSR1
SCHEMBL12792776 0.80 LMNA (0.54) LMNAMAPK1KDM4EHTTNPSR1
SCHEMBL4828458 0.79 KDM4E (0.63) LMNAMAPK1KDM4EHTTNPSR1
SCHEMBL3397764 0.79 L3MBTL1 (0.65) LMNAKDM4EHTTNPSR1ALDH1A1
SCHEMBL4947709 0.78 BRD4 (0.49) LMNAKDM4EHTTNPSR1HSD17B10
SCHEMBL27993098 0.78 TSHR (0.62) LMNAMAPK1KDM4EHTTNPSR1
SCHEMBL4191641 0.77 TNF (0.64) LMNAHTTALDH1A1MAPTNPC1
SCHEMBL31498004 0.77 TNF (0.64) LMNAHTTALDH1A1MAPTNPC1
SCHEMBL30189629 0.74 SMN1; SMN2 (0.57) LMNAKDM4EHTTALDH1A1MAPT
SCHEMBL459471 0.74 SMN1; SMN2 (0.57) LMNAKDM4EHTTALDH1A1MAPT

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 5 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
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 LMNA 435/4885MAPK1 1769/4885KDM4E 2397/4885

“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.