SCHEMBL10249355

SCHEMBL10249355

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(N)c2ccc(OCCCl)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
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
LTA4H P09960 1/20 0.37
KCNH2 Q12809 2/20 0.37
LIMK1 P53667 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
AR P10275 4/20 0.36
NR3C1 P04150 3/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 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
DRD3 P35462 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 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
SCHEMBL10249405 0.90 NPC1 (0.42) NPC1RAB9AGRIN1GRIN2BLTA4H
SCHEMBL13152238 0.90 LMNA (0.46) NPC1RAB9ALIMK1LMNAMAPK1
SCHEMBL10252484 0.90 PLK4 (0.40) NPC1RAB9ALIMK1MAPK1AR
SCHEMBL10097596 0.89 CACNA1F (0.43) NPC1RAB9ALTA4HKCNH2LIMK1
SCHEMBL13152559 0.87 GRIK2 (0.46) NPC1RAB9ALIMK1LMNAMAPK1
SCHEMBL979542 0.86 PGR (0.42) NPC1RAB9AGRIN1GRIN2BLTA4H
SCHEMBL10097670 0.85 KCNH2 (0.47) NPC1RAB9AGRIN1GRIN2BLTA4H
SCHEMBL10097615 0.85 LTA4H (0.56) LTA4HKCNH2NR3C1CHRM2ACHE
SCHEMBL10097317 0.85 LTA4H (0.48) NPC1RAB9AGRIN1GRIN2BLTA4H
SCHEMBL13152558 0.85 KIF11 (0.54) ARNR3C1PGRNR3C2KIF11

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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 3975/4885GRIN1 4495/4885

“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.