SCHEMBL3967975

SCHEMBL3967975

Nc1ccc(C2=NOC(c3ccncc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
S1PR1 P21453 5/20 0.39
PTPN1 P18031 3/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA1 Q09470 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3970822 0.94 MAOB (0.45) MAOBS1PR1PTPN1CYP17A1CYP3A4
SCHEMBL3967972 0.84 MAOB (0.45) MAOBS1PR1PTPN1ATMMIF
SCHEMBL19244579 0.83 MAOB (0.47) MAOBS1PR1MIF
SCHEMBL3968913 0.83 ATM (0.46) MAOBS1PR1PTPN1CYP3A4ATM
SCHEMBL3964995 0.83 MAOB (0.43) MAOBS1PR1PTPN1ATMMIF
SCHEMBL1257980 0.82 KIF11 (0.49) MAOBS1PR1ATMMIF
SCHEMBL31341202 0.82 PTPN1 (0.59) MAOBPTPN1MEN1ALDH1A1LMNA
SCHEMBL12922866 0.81 PTPN1 (0.47) MAOBS1PR1PTPN1ATMTSHR
SCHEMBL3976726 0.81 MAOB (0.42) MAOBS1PR1PTPN1ATMALDH1A1
SCHEMBL3976728 0.81 MAOB (0.42) MAOBS1PR1PTPN1MEN1KMT2A

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 2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US 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 MAOB 99/4885S1PR1 1181/4885PTPN1 3006/4885

“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.