SCHEMBL3968282

SCHEMBL3968282

Cc1ccc2c(CO)cc(C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
LMNA P02545 2/20 0.44
GRM2 Q14416 3/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 1/20 0.39
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
NCF1 P14598 1/20 0.38

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
SCHEMBL3881739 0.87 LMNA (0.56) CYP1A2LMNAKDM4ECYP2C19L3MBTL1
SCHEMBL20880350 0.82 KMT2A (0.46) CYP1A2LMNAGRM2KDM4EPOLB
SCHEMBL20880351 0.82 BACE1 (0.44) GRM2KCNH2
SCHEMBL3968279 0.81 CYP1A2 (0.47) CYP1A2LMNAGRM2KDM4EPOLB
SCHEMBL6628457 0.81 KMT2A (0.53) CYP1A2LMNAKDM4EPOLBSLC2A1
SCHEMBL1366357 0.81 CYP1A2 (0.62) CYP1A2KDM4ECYP2C19L3MBTL1SMN1; SMN2
SCHEMBL6593684 0.77 CYP1A2 (0.50) CYP1A2LMNAGRM2KDM4EPOLB
SCHEMBL874427 0.76 POLB (0.66) CYP1A2LMNAGRM2KDM4EPOLB
SCHEMBL3881237 0.74 ALDH1A1 (0.47) CYP1A2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3969703 0.73 CYP1A2 (0.50) CYP1A2LMNAGRM2KDM4EPOLB

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 23 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
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
EP-1299379-A2 LACTAM METALLOPROTEASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-09 EP 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
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE 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
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
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
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 CYP1A2 1247/4885LMNA 435/4885GRM2 1978/4885

“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.