SCHEMBL3970157

SCHEMBL3970157

O=[C]c1ccc(C2CC(c3ccccc3)=NO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 3/20 0.43
PPARG P37231 7/20 0.42
PPARA Q07869 5/20 0.42
S1PR1 P21453 1/20 0.42
PTPN1 P18031 2/20 0.40

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
SCHEMBL3969046 0.87 MAOB (0.42) MAOBPPARGPPARAS1PR1PTPN1
SCHEMBL3968940 0.85 KDM4E (0.42) MAOBPPARGPPARA
SCHEMBL6939090 0.84 TSHR (0.51) CA1CA2ATMMAOBPPARG
SCHEMBL3976726 0.84 MAOB (0.42) ATMMAOBS1PR1PTPN1
SCHEMBL3964807 0.81 MAOB (0.45) MAOBPPARGPPARAS1PR1PTPN1
SCHEMBL3967752 0.81 CA12 (0.39) S1PR1PTPN1
SCHEMBL30866950 0.80 MAOB (0.52) CA1CA2ATMMAOBPPARG
SCHEMBL3968910 0.80 ATM (0.46) CA1CA2ATMMAOBPPARG
SCHEMBL3968913 0.80 ATM (0.46) CA1CA2ATMMAOBPPARG
SCHEMBL3967737 0.80 LMNA (0.39) ATMMAOBS1PR1

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
CN-1481377-A Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and TNF-alpha ����˹�ж�-����˹˹����ҩƷ��˾ 2004-03-10 CN 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

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 CA1 37/4885CA2 276/4885ATM 3136/4885

“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.