SCHEMBL4855264

SCHEMBL4855264

CC(=O)c1ccc(NC(=O)c2cnc(Cl)cn2)c(C(=O)Nc2ccc(C)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.56
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
KCNH2 Q12809 1/20 0.46
KLKB1 P03952 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL14003572 0.91 F10 (0.58) F10KCNH2KLKB1
SCHEMBL4856775 0.90 F10 (0.55) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4856406 0.88 F10 (0.64) F10RAB9ANPC1ALDH1A1KCNH2
SCHEMBL4855305 0.84 F10 (0.64) F10RAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL4860904 0.82 F10 (0.53) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4848862 0.80 KCNH2 (0.57) F10KCNH2KLKB1
SCHEMBL4851497 0.79 F10 (0.62) F10KCNH2KLKB1
SCHEMBL4854339 0.79 F10 (0.71) F10ALDH1A1KCNH2KLKB1
SCHEMBL13313049 0.78 F10 (0.67) F10KCNH2KLKB1POLB
SCHEMBL4865810 0.77 F10 (0.57) 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 9 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
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-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 15/4885RAB9A 3682/4885NPC1 2571/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 F10 11/4885RAB9A 1432/4885NPC1 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.