SCHEMBL3156502

SCHEMBL3156502

O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.82
CGAS Q8N884 1/20 0.62
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C19 P33261 2/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 1/20 0.55
SORT1 Q99523 1/20 0.55
MEN1 O00255 1/20 0.55
RECQL P46063 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL3161550 0.90 POLB (0.68) POLBCGASALDH1A1RAB9AMAPT
SCHEMBL2433512 0.90 POLB (0.67) POLBCGASALDH1A1RAB9AMAPT
SCHEMBL5070166 0.87 POLB (0.64) POLBCGASALDH1A1FLT1FLT4
SCHEMBL2438920 0.87 KDM4E (0.73) POLBCGASALDH1A1CYP1A2CYP3A4
SCHEMBL4856290 0.86 POLB (0.63) POLBCGASALDH1A1RAB9AMAPT
SCHEMBL4858061 0.86 KMT2A (0.67) POLBCGASCYP1A2CYP3A4CYP2C19
SCHEMBL15855141 0.84 POLB (0.60) POLBCGASALDH1A1RAB9AMAPT
SCHEMBL5070165 0.83 PKM (0.78) POLBCGASCYP1A2CYP3A4CYP2C19
SCHEMBL890692 0.83 POLB (0.71) POLBCGASALDH1A1HPGDRAB9A
SCHEMBL3152166 0.83 POLB (0.58) POLBCGASALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 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
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP 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-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
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO 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 (3 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 POLB 4161/4885CGAS 2770/4885ALDH1A1 1238/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI POLB 3753/4885CGAS 3546/4885ALDH1A1 1409/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 POLB 4133/4885CGAS 3734/4885ALDH1A1 1415/4885

“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.