SCHEMBL3964916

SCHEMBL3964916

Cc1cc(C[O])c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.60
▸ NCF1 P14598 3/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL8232676 0.86 CYP1A2 (0.62) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL6964689 0.85 CYP1A2 (0.56) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL1366357 0.82 CYP1A2 (0.62) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL3969457 0.81 LMNA (0.56) CYP1A2SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL6494917 0.81 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL994597 0.81 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL265139 0.81 NCF1 (0.61) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL6494921 0.81 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL3921968 0.81 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2KDM4EHTT
SCHEMBL5898542 0.81 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2KDM4EHTT

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 39 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-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-7015217-B2 Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 — — 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-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-6825215-B2 N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 — — 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
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 — — WO disclosed
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 — — EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — 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
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 — — EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 — — US disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 — — WO disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 — — 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 CYP1A2 1247/4885NCF1 992/4885SMN1; SMN2 3011/4885

“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.

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