SCHEMBL4858718

SCHEMBL4858718

COC(=O)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
RECQL P46063 1/20 0.67
POLB P06746 3/20 0.57
CGAS Q8N884 1/20 0.54
PKM P14618 1/20 0.53
RAB9A P51151 8/20 0.52
NPC1 O15118 5/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL4858061 0.91 KMT2A (0.67) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL2433512 0.86 POLB (0.67) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL297441 0.86 RAB9A (0.59) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL1353032 0.85 MEN1 (0.56) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL4860081 0.84 KMT2A (0.62) KMT2AMEN1RECQLRAB9ANPC1
SCHEMBL890692 0.84 POLB (0.71) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL15855141 0.83 POLB (0.60) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL5070165 0.82 PKM (0.78) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL3152166 0.82 POLB (0.58) KMT2AMEN1RECQLPOLBCGAS
SCHEMBL6107813 0.81 KMT2A (0.71) KMT2AMEN1RECQLPOLBCGAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
US-20040058959-A1 Substituted carboxamides HERRON DAVID KENT (US) 2004-03-25 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
EP-1307444-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2003-05-07 EP disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 WO disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 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-20040029874-A1 Aromatic amides F11, F12, F5 KMT2A 1697/4885MEN1 1626/4885RECQL 3685/4885
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI KMT2A 2433/4885MEN1 836/4885RECQL 4232/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 KMT2A 1697/4885MEN1 1626/4885RECQL 3685/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI KMT2A 1597/4885MEN1 950/4885RECQL 4423/4885

“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.