SCHEMBL5116166

SCHEMBL5116166

CON=C1CCc2cc(C=CC(=O)C3CCCN(C(=O)OCc4ccccc4)C3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.42
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TMEM97 Q5BJF2 5/20 0.38
SIGMAR1 Q99720 5/20 0.38
PDE4B Q07343 1/20 0.38
HSD11B1 P28845 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5105016 0.90 SMN1; SMN2 (0.49) APPSMN1; SMN2NPC1RAB9ATMEM97
SCHEMBL6610559 0.76 PARP1 (0.37) PARP1SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL6610557 0.76 PARP1 (0.37) PARP1SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL12052572 0.73 NPC1 (0.51) PARP1SMN1; SMN2NPC1RAB9ASIGMAR1
SCHEMBL1441223 0.70 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9APDE4BHSD11B1
SCHEMBL20129713 0.70 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9APDE4BHSD11B1
SCHEMBL29332889 0.70 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BHSD11B1
SCHEMBL2180966 0.70 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BHSD11B1
SCHEMBL3277860 0.70 SMN1; SMN2 (0.71) PARP1SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL204145 0.70 SMN1; SMN2 (0.71) PARP1SMN1; SMN2NPC1RAB9APDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 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 (1 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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF APP 776/4885PARP1 1152/4885SMN1; SMN2 2498/4885

“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.