SCHEMBL335857

SCHEMBL335857

CC(=O)Oc1cccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.55
RAB9A P51151 8/20 0.55
PPARD Q03181 2/20 0.55
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MGLL Q99685 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL335656 0.91 NPC1 (0.59) NPC1RAB9APPARDPPARGPPARA
SCHEMBL334248 0.88 PPARD (0.57) NPC1RAB9APPARDPPARGPPARA
SCHEMBL27727345 0.87 NPC1 (0.53) NPC1RAB9APPARDPPARGPPARA
SCHEMBL334520 0.86 PPARD (0.63) NPC1RAB9APPARDPPARGPPARA
SCHEMBL10219453 0.85 PPARD (0.54) NPC1RAB9APPARDPPARGPPARA
SCHEMBL4637904 0.84 MAPT (0.52) PPARDPPARGPPARAMAPTSMN1; SMN2
SCHEMBL334186 0.83 NPC1 (0.55) NPC1RAB9APPARDMAPTMEN1
SCHEMBL335856 0.83 PPARD (0.63) NPC1RAB9APPARDPPARGPPARA
SCHEMBL10219600 0.82 NPC1 (0.59) NPC1RAB9APPARDMAPTMEN1
SCHEMBL14143793 0.82 RAB9A (0.59) NPC1RAB9APPARDPPARGPPARA

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 1784/4885PPARD 1/4885

“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.