SCHEMBL3970160

SCHEMBL3970160

O=Cc1ccc(C2CC(c3ccccc3)=NO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
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
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3969051 0.87 MAOB (0.42) MEN1KMT2AMAOBPPARGPPARA
SCHEMBL3969680 0.85 KDM4E (0.42) MEN1KMT2AMAOBPPARG
SCHEMBL6939090 0.84 TSHR (0.51) CA1CA2ATMMAOBPPARG
SCHEMBL3976728 0.84 MAOB (0.42) MEN1KMT2AMAOBS1PR1PTPN1
SCHEMBL3964809 0.81 MAOB (0.45) MAOBPPARGPPARAS1PR1PTPN1
SCHEMBL3967754 0.81 CA12 (0.39) MEN1KMT2AS1PR1PTPN1TSHR
SCHEMBL3968913 0.80 ATM (0.46) MEN1KMT2ACA1CA2ATM
SCHEMBL3968910 0.80 ATM (0.46) CA1CA2ATMMAOBPPARG
SCHEMBL30866950 0.80 MAOB (0.52) MEN1KMT2ACA1CA2ATM
SCHEMBL3967739 0.80 LMNA (0.39) MEN1KMT2AATMMAOBUSP2

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 4 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

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 MEN1 2102/4885KMT2A 3445/4885CA1 37/4885

“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.