SCHEMBL17050422

SCHEMBL17050422

CCc1nc2ccc(C(C)C)c(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
FBP1 P09467 1/20 0.32
ACACB O00763 8/20 0.32
KMT2A Q03164 1/20 0.31
SLC2A1 P11166 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACACA Q13085 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
SCHEMBL17050432 0.79 ACACB (0.41) NPC1RAB9ATLR8TLR7ACACB
SCHEMBL17050426 0.79 RAB9A (0.41) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL21631583 0.78 NPC1 (0.42) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL14684249 0.77 RAB9A (0.56) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL24199111 0.76 NPC1 (0.43) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL17050425 0.75 ACACB (0.35) ACACBCYP2C9ACACA
SCHEMBL17050427 0.74 ACACB (0.36) ACACBCYP2C9ACACA
SCHEMBL13824618 0.70 PSMB8 (0.51) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL16716025 0.69 RAB9A (0.51) NPC1GAAMAPK1RAB9ATLR8
SCHEMBL21653722 0.69 NPC1 (0.34) NPC1GAAMAPK1RAB9ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 NPC1 1419/4885GAA 2309/4885MAPK1 2691/4885

“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.