SCHEMBL3157404

SCHEMBL3157404

O=C(Nc1ccc(F)cn1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
KMT2A Q03164 3/20 0.57
F10 P00742 1/20 0.53
CGAS Q8N884 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
AGTR1 P30556 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 1/20 0.47
FFAR2 O15552 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3152166 0.91 POLB (0.58) POLBKMT2AF10CGASALDH1A1
SCHEMBL4859752 0.90 KDM4E (0.55) POLBKMT2ACGASALDH1A1KDM4E
SCHEMBL2433512 0.90 POLB (0.67) POLBKMT2ACGASALDH1A1KDM4E
SCHEMBL3151263 0.86 POLB (0.83) POLBKMT2AF10CGASALDH1A1
SCHEMBL6590143 0.86 MAPT (0.65) POLBKMT2ACGASALDH1A1KDM4E
SCHEMBL4859580 0.86 KDM4E (0.63) POLBKMT2AALDH1A1KDM4EPKM
SCHEMBL3161550 0.83 POLB (0.68) POLBKMT2AF10CGASALDH1A1
SCHEMBL6647930 0.83 KDM4E (0.51) POLBKMT2AF10ALDH1A1KDM4E
SCHEMBL3156608 0.83 F10 (0.56) POLBKMT2AF10ALDH1A1PKM
SCHEMBL15855141 0.82 POLB (0.60) POLBKMT2ACGASALDH1A1KDM4E

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 29 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
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-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-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 4161/4885KMT2A 1697/4885F10 12/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI POLB 3753/4885KMT2A 1597/4885F10 16/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 POLB 4133/4885KMT2A 2775/4885F10 15/4885

“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.