SCHEMBL3969696

SCHEMBL3969696

[CH2]c1cc(C)nc2ccc(C)cc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 4/20 0.46
ELANE P08246 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 2/20 0.42
KMT2A Q03164 2/20 0.42
JAK2 O60674 1/20 0.42
PAX8 Q06710 1/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NQO2 P16083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.40
NCF1 P14598 1/20 0.40

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
SCHEMBL3969703 0.84 CYP1A2 (0.50) LMNAL3MBTL1CYP1A2KDM4EMAPT
SCHEMBL6490329 0.81 CASP3 (0.47) LMNACYP1A2KDM4EKMT2APKM
SCHEMBL6481363 0.81 POLB (0.53) LMNACYP1A2HTTMAPTSMN1; SMN2
SCHEMBL3531515 0.79 LMNA (0.66) LMNAL3MBTL1CYP1A2KDM4EELANE
SCHEMBL2641557 0.78 CYP1A2 (0.64) L3MBTL1CYP1A2KDM4EHTTMAPT
SCHEMBL6766825 0.76 LMNA (0.61) LMNAL3MBTL1CYP1A2KDM4EELANE
SCHEMBL30572382 0.76 LMNA (1.00) LMNAL3MBTL1CYP1A2KDM4EELANE
SCHEMBL438604 0.76 NCF1 (0.63) LMNAL3MBTL1CYP1A2KDM4EKMT2A
SCHEMBL3760247 0.76 LMNA (0.61) LMNAL3MBTL1CYP1A2KDM4EELANE
SCHEMBL29523105 0.76 LMNA (0.61) LMNAL3MBTL1CYP1A2KDM4EELANE

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 9 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-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP 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
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 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 435/4885L3MBTL1 2221/4885CYP1A2 1247/4885

“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.