SCHEMBL3967739

SCHEMBL3967739

O=Cc1ccc(C2=NOC(c3cccnc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAOB P27338 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2A6 P11509 5/20 0.37
USP2 O75604 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
MIF P14174 1/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 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
SCHEMBL3969680 0.87 KDM4E (0.42) MAOBKMT2AMEN1CYP2A6MAPK10
SCHEMBL3976728 0.84 MAOB (0.42) MAOBKMT2AMEN1USP2MIF
SCHEMBL12922861 0.84 CYP2A6 (0.42) LMNAMAOBCYP2A6CYP3A4TDP1
SCHEMBL12922856 0.82 KDM4E (0.44) MAOBKMT2AMEN1CYP2A6CYP3A4
SCHEMBL3967737 0.82 LMNA (0.39) LMNAMAOBCYP2A6USP2MAPK1
SCHEMBL3969051 0.81 MAOB (0.42) MAOBKMT2AMEN1MIF
SCHEMBL4051362 0.81 CYP2A6 (0.40) LMNAMAOBCYP2A6CYP3A4TDP1
SCHEMBL3970160 0.80 MEN1 (0.49) MAOBKMT2AMEN1USP2TDP1
SCHEMBL12419637 0.80 CYP2A6 (0.40) LMNAMAOBCYP2A6USP2MAPK1
SCHEMBL4797950 0.76 MIF (0.43) MIFKDM4EALDH1A1MAPT

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 LMNA 435/4885MAOB 99/4885KMT2A 3445/4885

“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.