SCHEMBL3152166

SCHEMBL3152166

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
CGAS Q8N884 1/20 0.58
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.56
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
F10 P00742 1/20 0.53
BRD4 O60885 1/20 0.52
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
SORT1 Q99523 1/20 0.48

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 0.91 POLB (0.68) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL3157404 0.91 POLB (0.61) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL2433512 0.90 POLB (0.67) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL4859752 0.90 KDM4E (0.55) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL4856290 0.87 POLB (0.63) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL15855141 0.87 POLB (0.60) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL890692 0.86 POLB (0.71) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL890637 0.86 NPC1 (0.58) POLBRAB9ASMN1; SMN2NPC1PKM
SCHEMBL17492990 0.86 KDM4E (0.51) POLBCGASRAB9ASMN1; SMN2NPC1
SCHEMBL6107813 0.83 KMT2A (0.71) POLBCGASRAB9ASMN1; SMN2NPC1

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 37 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
EP-1678161-B1 THIOETHER-SUBSTITUTED BENZAMIDES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARM INC (US) 2009-12-30 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-1678161-A4 THIOETHER-SUBSTITUTED BENZAMIDES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARM INC (US) 2008-04-16 EP 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-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 2770/4885RAB9A 2097/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI POLB 3753/4885CGAS 3546/4885RAB9A 3125/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 POLB 4133/4885CGAS 3734/4885RAB9A 2470/4885

“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.