SCHEMBL4856290

SCHEMBL4856290

O=C(Nc1ccc(Cl)cn1)c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
CGAS Q8N884 1/20 0.59
RAB9A P51151 6/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
BRD4 O60885 1/20 0.53
NPC1 O15118 5/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 2/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SORT1 Q99523 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 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 0.87 POLB (0.68) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL3152166 0.87 POLB (0.58) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL2433512 0.86 POLB (0.67) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL3156502 0.86 POLB (0.82) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL2656598 0.85 NPC1 (0.60) POLBSMN1; SMN2TDP1RAB9AKMT2A
SCHEMBL4858997 0.83 SMN1; SMN2 (0.67) SMN1; SMN2TDP1RAB9AKMT2ABRD4
SCHEMBL15855141 0.83 POLB (0.60) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL5070165 0.82 PKM (0.78) POLBSMN1; SMN2CGASRAB9AKMT2A
SCHEMBL3157404 0.82 POLB (0.61) POLBSMN1; SMN2TDP1CGASRAB9A
SCHEMBL890692 0.82 POLB (0.71) POLBSMN1; SMN2CGASRAB9AKMT2A

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 15 patents. 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-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1456175-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 US disclosed
US-20040058959-A1 Substituted carboxamides HERRON DAVID KENT (US) 2004-03-25 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 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-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI POLB 4142/4885SMN1; SMN2 3253/4885TDP1 1475/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 POLB 3843/4885SMN1; SMN2 2882/4885TDP1 3417/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI POLB 3753/4885SMN1; SMN2 2880/4885TDP1 3644/4885

“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.