SCHEMBL4852706

SCHEMBL4852706

O=C(Cl)c1ncc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10328694 0.77 HCAR2 (0.41) APLNRAGBL2HCAR2NAPRT
SCHEMBL14782157 0.77 NAPRT (0.41) ALDH1A1ALOX15NAPRTSIRT6NPC1
SCHEMBL1708233 0.75 ALDH1A1 (0.40) ALDH1A1HCAR2NAPRTSIRT6NPC1
SCHEMBL29959449 0.75 ADORA3 (0.37) APLNRALDH1A1AGBL2SIRT6SMN1; SMN2
SCHEMBL217899 0.75 AGBL2 (0.37) APLNRALDH1A1AGBL2HCAR2NPC1
SCHEMBL28558733 0.75 APLNR (0.32) APLNR
SCHEMBL30990028 0.72 ALDH1A1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL17394985 0.71 APLNR (0.31) APLNR
SCHEMBL17394986 0.71 APLNR (0.31) APLNR
SCHEMBL10328696 0.70 CYP4F2 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2

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 APLNR 3247/4885KCNQ3 2680/4885KCNQ2 2615/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 APLNR 3697/4885KCNQ3 3192/4885KCNQ2 2699/4885

“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.