SCHEMBL3969723

SCHEMBL3969723

[CH2]Oc1cc(C)nc2cc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 2/20 0.43
SLC2A1 P11166 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NR4A2 P43354 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NQO2 P16083 1/20 0.37
ACHE P22303 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL4219099 0.86 LMNA (0.61) LMNACYP1A2KDM4EMAPTL3MBTL1
SCHEMBL3975907 0.80 CYP1A2 (0.58) LMNACYP1A2KDM4EMAPTL3MBTL1
SCHEMBL3969703 0.76 CYP1A2 (0.50) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL874427 0.75 POLB (0.66) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL6593684 0.72 CYP1A2 (0.50) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL25544348 0.72 CYP1A2 (0.50) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL13684731 0.69 CYP1A2 (0.47) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL6628457 0.69 KMT2A (0.53) LMNACYP1A2KDM4ESLC2A1POLB
SCHEMBL9724306 0.69 KDM4E (0.59) LMNACYP1A2KDM4EPOLBMAPT
SCHEMBL3968282 0.69 CYP1A2 (0.47) LMNACYP1A2KDM4ESLC2A1POLB

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 6 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-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 LMNA 435/4885CYP1A2 1247/4885KDM4E 2397/4885

“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.