SCHEMBL1998661

SCHEMBL1998661

O=C(NC1CCCC1NC(=O)c1ccc2nc(Cl)ccc2c1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.62
F2 P00734 1/20 0.62
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.45

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
SCHEMBL2001840 0.98 F10 (0.62) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL2005009 0.86 F10 (0.66) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL2000762 0.84 F10 (0.49) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL1998543 0.84 F10 (0.62) F10F2NPC1SMN1; SMN2HPGD
SCHEMBL1997930 0.84 F10 (0.66) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL1999163 0.84 F10 (0.68) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL2001531 0.83 F10 (0.63) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL1993627 0.82 F10 (0.66) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4587128 0.79 MAPT (0.46) F10NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL1992899 0.78 F10 (0.75) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN claimed
CN-102617567-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2012-08-01 CN claimed
EP-2105436-A1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors Bristol-Myers Squibb Company (US) 2009-09-30 EP claimed
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
CN-1578660-A Lactam-containing compounds and derivatives thereof as factor xa inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-02-09 CN claimed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US claimed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US disclosed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 US disclosed
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US disclosed
CN-1578660-A Lactam-containing compounds and derivatives thereof as factor xa inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-02-09 CN disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 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 (10 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-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 45/4885F2 2/4885NPC1 3276/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885F2 2/4885NPC1 3299/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 45/4885F2 2/4885NPC1 3276/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 F10 43/4885F2 4/4885NPC1 3221/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 45/4885F2 2/4885NPC1 3276/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 43/4885F2 2/4885NPC1 3299/4885
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, F2, TFPI F10 62/4885F2 2/4885NPC1 2083/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 45/4885F2 2/4885NPC1 3276/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885F2 2/4885NPC1 3299/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 F10 33/4885F2 13/4885NPC1 2683/4885

“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.