SCHEMBL3968910

SCHEMBL3968910

[NH]c1ccc(C2CC(c3ccccc3)=NO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
MAOB P27338 3/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PTPN1 P18031 3/20 0.43
PPARG P37231 7/20 0.42
PPARA Q07869 5/20 0.42
TSHR P16473 1/20 0.42
S1PR1 P21453 1/20 0.42
RAB9A P51151 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
SCHEMBL6939090 0.88 TSHR (0.51) ATMMAOBCA1CA2PTPN1
SCHEMBL3970819 0.86 MAOB (0.45) ATMMAOBPTPN1PPARGPPARA
SCHEMBL3968913 0.84 ATM (0.46) ATMMAOBCA1CA2PTPN1
SCHEMBL30866950 0.84 MAOB (0.52) ATMMAOBCA1CA2PPARG
SCHEMBL3974291 0.84 KDM4E (0.41) MAOBPTPN1PPARG
SCHEMBL3967972 0.83 MAOB (0.45) ATMMAOBPTPN1S1PR1
SCHEMBL3969669 0.82 ATM (0.47) ATMMAOBCA1CA2PTPN1
SCHEMBL3970157 0.80 CA1 (0.43) ATMMAOBCA1CA2PTPN1
SCHEMBL3970160 0.80 MEN1 (0.49) ATMMAOBCA1CA2PTPN1
SCHEMBL12419630 0.80 CA1 (0.44) ATMMAOBCA1CA2PTPN1

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 ATM 3136/4885MAOB 99/4885CA1 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.