SCHEMBL4848484

SCHEMBL4848484

O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ncc(F)cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.65
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
KCNH2 Q12809 2/20 0.53
KLKB1 P03952 2/20 0.52
BRD4 O60885 1/20 0.51

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
SCHEMBL4852753 0.94 F10 (0.61) F10KCNH2KLKB1
SCHEMBL4848535 0.92 F10 (0.53) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4857507 0.89 F10 (0.66) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4858740 0.89 F10 (0.61) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL5392608 0.87 F10 (0.79) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL3165956 0.86 F10 (0.65) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL8356569 0.85 F10 (0.64) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL13315125 0.85 SMN1; SMN2 (0.77) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL13315095 0.85 F10 (0.73) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4856966 0.85 F10 (0.66) F10KCNH2KLKB1

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 13 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
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 F10 15/4885SMN1; SMN2 3253/4885NPC1 2571/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 F10 11/4885SMN1; SMN2 2882/4885NPC1 2192/4885

“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.