SCHEMBL3967972

SCHEMBL3967972

[NH]c1ccc(C2=NOC(c3ccncc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
S1PR1 P21453 5/20 0.39
PTPN1 P18031 4/20 0.38
ATM Q13315 1/20 0.36
MIF P14174 3/20 0.35
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
GRK2 P25098 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL3970819 0.94 MAOB (0.45) MAOBS1PR1PTPN1ATM
SCHEMBL3967975 0.84 MAOB (0.45) MAOBS1PR1PTPN1ATMMIF
SCHEMBL3968910 0.83 ATM (0.46) MAOBS1PR1PTPN1ATM
SCHEMBL3964995 0.83 MAOB (0.43) MAOBS1PR1PTPN1ATMMIF
SCHEMBL12922866 0.81 PTPN1 (0.47) MAOBS1PR1PTPN1ATM
SCHEMBL3976726 0.81 MAOB (0.42) MAOBS1PR1PTPN1ATMMIF
SCHEMBL3976728 0.81 MAOB (0.42) MAOBS1PR1PTPN1MIF
SCHEMBL3974291 0.80 KDM4E (0.41) MAOBPTPN1POLB
SCHEMBL3966398 0.79 MAOB (0.43) MAOBS1PR1PTPN1ATMAPAF1
SCHEMBL3970822 0.78 MAOB (0.45) MAOBS1PR1PTPN1ATM

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
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 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 (2 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 MAOB 99/4885S1PR1 1181/4885PTPN1 3006/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 MAOB 156/4885S1PR1 1267/4885PTPN1 2477/4885

“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.