SCHEMBL4854352

SCHEMBL4854352

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.63
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 3/20 0.52
KLKB1 P03952 2/20 0.50
BRD4 O60885 1/20 0.49

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
SCHEMBL4856391 0.91 F10 (0.63) F10ALDH1A1TSHRKCNH2KLKB1
SCHEMBL4851497 0.91 F10 (0.62) F10KCNH2KLKB1
SCHEMBL4857507 0.90 F10 (0.66) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4858047 0.88 SMN1; SMN2 (0.56) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4855305 0.87 F10 (0.64) F10SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL4857456 0.86 F10 (0.62) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4851457 0.86 F10 (0.70) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL5392608 0.85 F10 (0.79) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL4856966 0.85 F10 (0.66) F10KCNH2KLKB1
SCHEMBL4860904 0.85 F10 (0.53) F10SMN1; SMN2NPC1ALDH1A1RAB9A

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
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-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 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.