SCHEMBL4478503

SCHEMBL4478503

CCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CHRNA7 P36544 3/20 0.38
SCN10A Q9Y5Y9 7/20 0.38
KCNH2 Q12809 4/20 0.38
SCN9A Q15858 2/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4483092 0.82 RAB9A (0.39) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9061793 0.82 NPC1 (0.59) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9060178 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9062389 0.80 RARB (0.50) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9061248 0.80 NPC1 (0.56) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9060818 0.78 NPC1 (0.55) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9062023 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9061575 0.78 RARB (0.49) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9061383 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5351824 0.78 RARB (0.56) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP RAB9A 2000/4885NPC1 2243/4885SMN1; SMN2 1885/4885

“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.