SCHEMBL4848535

SCHEMBL4848535

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.53
AHR P35869 1/20 0.46
GRM5 P41594 3/20 0.46
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4848484 0.92 F10 (0.65) F10KCNH2NPC1ALDH1A1PKM
SCHEMBL4856487 0.90 GRM5 (0.56) F10AHRGRM5KCNH2ABCB1
SCHEMBL4858178 0.88 F10 (0.57) F10AHRGRM5KCNH2CYP1A2
SCHEMBL4852753 0.85 F10 (0.61) F10KCNH2
SCHEMBL8353943 0.85 F10 (0.51) F10AHRGRM5KDM4EABCB1
SCHEMBL4857507 0.83 F10 (0.66) F10KCNH2NPC1ALDH1A1PKM
SCHEMBL4858740 0.81 F10 (0.61) F10KCNH2KDM4ENPC1ALDH1A1
SCHEMBL5201184 0.81 F10 (0.59) F10
SCHEMBL5201319 0.81 F10 (0.53) F10KCNH2
SCHEMBL7135465 0.80 F10 (0.41) F10GRM5

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 15/4885AHR 1213/4885GRM5 4395/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 F10 11/4885AHR 1445/4885GRM5 4689/4885

“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.