SCHEMBL10249405

SCHEMBL10249405

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(N)c2ccc(OCCF)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KIF11 P52732 1/20 0.37
LTA4H P09960 1/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
KCNH2 Q12809 2/20 0.37
LIMK1 P53667 1/20 0.36
HASPIN Q8TF76 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
AR P10275 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
CYP17A1 P05093 3/20 0.36
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
ACHE P22303 1/20 0.35
AGTR1 P30556 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
SCHEMBL10252757 0.92 PLK4 (0.37) NPC1RAB9AKIF11LIMK1LMNA
SCHEMBL10249355 0.90 NPC1 (0.42) NPC1RAB9AKIF11LTA4HGRIN1
SCHEMBL13152238 0.90 LMNA (0.46) NPC1RAB9AKIF11LIMK1HASPIN
SCHEMBL13151765 0.90 BRD4 (0.35) NPC1RAB9ALMNAMAPK1PGR
SCHEMBL10249318 0.90 PLK4 (0.40) NPC1RAB9ALIMK1ARPGR
SCHEMBL10097596 0.89 CACNA1F (0.43) NPC1RAB9ALTA4HKCNH2LIMK1
SCHEMBL13152607 0.88 SGK1 (0.39) GRIK1GRIK2
SCHEMBL10097376 0.88 AR (0.41) NPC1RAB9ALIMK1LMNAAR
SCHEMBL10249433 0.87 SGK1 (0.36) NPC1RAB9ALIMK1ARGRIK1
SCHEMBL13152559 0.87 GRIK2 (0.46) NPC1RAB9AKIF11LIMK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 297/4885RAB9A 3975/4885KIF11 3319/4885

“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.