SCHEMBL3969457

SCHEMBL3969457

Cc1ccc2nc(C)cc(C[O])c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ELANE P08246 3/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ HTT P42858 3/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MITF O75030 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL24368914 0.87 LMNA (0.58) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL3968279 0.87 CYP1A2 (0.47) LMNAKDM4EL3MBTL1CYP1A2KMT2A
SCHEMBL6628180 0.82 LMNA (0.61) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL3881739 0.82 LMNA (0.56) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL3964916 0.81 CYP1A2 (0.60) KDM4EL3MBTL1CYP1A2HTTKMT2A
Hydrochloric Acid SCHEMBL3879797 0.81 LMNA (0.59) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL28157577 0.76 LMNA (0.49) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL3531515 0.75 LMNA (0.66) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL28910002 0.73 LMNA (0.58) LMNAKDM4EL3MBTL1ELANECYP1A2
SCHEMBL438604 0.72 NCF1 (0.63) LMNAKDM4EL3MBTL1CYP1A2KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 — — US claimed
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-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 — — 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-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
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 — — US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 — — US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 — — US disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 — — US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 — — EP 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
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 — — US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 — — US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 — — WO disclosed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 — — WO disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 — — 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 435/4885KDM4E 2397/4885L3MBTL1 2221/4885

“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.

Send feedback