SCHEMBL1997454

SCHEMBL1997454

CC(C)(C)C1Cc2ccc(N)cc2N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
HSD17B3 P37058 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
GFER P55789 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
YWHAG P61981 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 3/20 0.33
MMP8 P22894 2/20 0.32
MMP3 P08254 1/20 0.32
FSHR P23945 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
RAD52 P43351 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL1994565 0.89 NR1H2 (0.39) NR1H2BRD4ATAD2HSD17B3KDM4E
SCHEMBL14575084 0.86 ATAD2 (0.44) NR1H2BRD4ATAD2HSD17B3GFER
SCHEMBL29014075 0.83 LMNA (0.38) BRD4HSD17B3GFERMEN1KMT2A
SCHEMBL3796963 0.79 NOTUM (0.51) NOTUMALDH1A1
SCHEMBL29014085 0.75 CRBN (0.42) KDM4EALDH1A1
SCHEMBL14321151 0.74 PDK1 (0.39) BRD4HSD17B3KDM4EMAPTMEN1
SCHEMBL5798751 0.72 NOTUM (0.62) BRD4ATAD2HSD17B3KDM4EMAPT
SCHEMBL17058884 0.69 NR1H2 (0.35) NR1H2BRD4ATAD2
SCHEMBL19739177 0.69 NR1H2 (0.48) NR1H2BRD4ATAD2MEN1KMT2A
SCHEMBL19739175 0.69 NR1H2 (0.48) NR1H2BRD4ATAD2MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 US disclosed
US-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 US disclosed
US-7691846-B2 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-06 US disclosed
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-09 US disclosed
US-7115627-B2 Glycinamides as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-03 US disclosed
EP-1465892-A4 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-30 EP disclosed
EP-1465892-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 EP disclosed
US-20030232804-A1 Glycinamides as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048158-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 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 (4 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-20030232804-A1 Glycinamides as factor Xa inhibitors F11, F13B, F12 NR1H2 2780/4885BRD4 4471/4885ATAD2 3800/4885
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NR1H2 3725/4885BRD4 1600/4885ATAD2 2657/4885
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis F2, PLAT, TFPI NR1H2 3980/4885BRD4 237/4885ATAD2 2766/4885
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NR1H2 3725/4885BRD4 1600/4885ATAD2 2657/4885

“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.