SCHEMBL3968913

SCHEMBL3968913

Nc1ccc(C2CC(c3ccccc3)=NO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

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 2/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 3/20 0.42
TSHR P16473 1/20 0.42
S1PR1 P21453 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 1/20 0.41
ATR Q13535 1/20 0.41
CYP3A4 P08684 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3970822 0.86 MAOB (0.45) ATMMAOBPTPN1PPARGPPARA
SCHEMBL19244579 0.84 MAOB (0.47) MAOBPPARGS1PR1
SCHEMBL30866950 0.84 MAOB (0.52) ATMMAOBCA1CA2PPARG
SCHEMBL3968910 0.84 ATM (0.46) ATMMAOBCA1CA2PTPN1
SCHEMBL3974292 0.84 KDM4E (0.41) MAOBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3967975 0.83 MAOB (0.45) ATMMAOBPTPN1TSHRS1PR1
SCHEMBL3969669 0.82 ATM (0.47) ATMMAOBCA1CA2PTPN1
SCHEMBL1257980 0.81 KIF11 (0.49) ATMMAOBS1PR1
SCHEMBL31341202 0.81 PTPN1 (0.59) MAOBPTPN1KDM4EMEN1ALDH1A1

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.