SCHEMBL4191636

SCHEMBL4191636

CC1(C[O])N=c2ccccc2=N1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14361686 0.78 NOS2 (0.39) KDM4EHCRTR1LMNAMAPTELANE
SCHEMBL3967601 0.76 RECQL (0.31) ALDH1A1
SCHEMBL14361737 0.74 KDM1A (0.32) KDM4EHCRTR1LMNAMAPTALDH1A1
SCHEMBL9469517 0.74 PKM (0.38) ELANEALDH1A1L3MBTL1
SCHEMBL3968948 0.73 KDM4E (0.33) KDM4EHCRTR1LMNAMAPTELANE
SCHEMBL3969714 0.73 MAPT (0.31) KDM4EHCRTR1LMNAMAPT
SCHEMBL3970496 0.71 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL3972771 0.71 KDM4E (0.33) KDM4EHCRTR1LMNAMAPTL3MBTL1
SCHEMBL3972388 0.71 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL14361651 0.71 ELANE (0.35) KDM4EMAPTELANEALDH1A1

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 3 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

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 KDM4E 2397/4885HCRTR1 3355/4885LMNA 435/4885

“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.