SCHEMBL10271876

SCHEMBL10271876

CCCCN(Cc1cccc(CC=O)c1)C1CCN(c2nc3ccc(Cl)cc3s2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.43
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 3/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KCNH2 Q12809 1/20 0.39
CHIT1 Q13231 1/20 0.39
CHIA Q9BZP6 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL334260 0.89 PPARD (0.55) NPC1RAB9APPARGPPARDPPARA
SCHEMBL334141 0.87 PPARG (0.48) NPC1RAB9APPARGPPARDPPARA
SCHEMBL10271969 0.87 PPARG (0.47) NPC1RAB9APPARGPPARDPPARA
SCHEMBL4638656 0.86 PPARD (0.49) NPC1RAB9APPARGPPARDPPARA
SCHEMBL10221031 0.84 PPARD (0.58) NPC1RAB9APPARGPPARDPPARA
SCHEMBL10271164 0.82 PPARD (0.54) PPARGPPARDPPARATP53SMN1; SMN2
SCHEMBL10221018 0.81 PPARD (0.58) NPC1RAB9APPARGPPARDPPARA
SCHEMBL10221055 0.79 PPARD (0.67) PPARGPPARDPPARA
SCHEMBL335794 0.76 PPARD (0.62) NPC1RAB9APPARGPPARDPPARA
SCHEMBL10221019 0.76 PPARD (0.59) PPARGPPARDPPARA

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG NPC1 1742/4885RAB9A 1784/4885PPARG 3/4885

“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.