SCHEMBL4858047

SCHEMBL4858047

O=C(Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
F10 P00742 13/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KCNH2 Q12809 2/20 0.50
BRD4 O60885 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
KLKB1 P03952 2/20 0.47
SORT1 Q99523 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4854352 0.88 F10 (0.63) SMN1; SMN2TDP1F10NPC1RAB9A
SCHEMBL4851497 0.87 F10 (0.62) F10KCNH2KLKB1
SCHEMBL4855305 0.83 F10 (0.64) SMN1; SMN2F10NPC1RAB9AKCNH2
SCHEMBL4856391 0.83 F10 (0.63) F10KCNH2ALDH1A1TSHRALOX15
SCHEMBL14003572 0.81 F10 (0.58) F10KCNH2KLKB1
SCHEMBL4860240 0.80 F10 (0.55) SMN1; SMN2F10NPC1RAB9AKCNH2
SCHEMBL4848862 0.80 KCNH2 (0.57) F10KCNH2KLKB1
SCHEMBL10178724 0.79 F10 (0.74) F10KCNH2KLKB1
SCHEMBL4856406 0.79 F10 (0.64) F10NPC1RAB9AKCNH2ALDH1A1
SCHEMBL14591667 0.79 F10 (0.55) F10

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 14 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
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-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
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO 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-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 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 (2 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 SMN1; SMN2 3253/4885TDP1 1475/4885F10 15/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 SMN1; SMN2 2882/4885TDP1 3417/4885F10 11/4885

“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.