SCHEMBL1534467

SCHEMBL1534467

COc1c(F)cccc1C(=O)C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
VCP P55072 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
NLRP3 Q96P20 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HSP90AA1 P07900 3/20 0.40
AGTR1 P30556 1/20 0.40
PAX8 Q06710 1/20 0.40
TLR9 Q9NR96 1/20 0.40
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
OPRK1 P41145 1/20 0.38
KAT6A Q92794 1/20 0.37

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
SCHEMBL1534486 0.84 NPC1 (0.48) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL1534679 0.83 VCP (0.44) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL1534617 0.78 MAPT (0.46) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL17952652 0.78 APP (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL27743169 0.77 VCP (0.54) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL1534404 0.77 CA12 (0.47) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL1534607 0.77 VCP (0.44) NPC1RAB9AVCPKMT2AMEN1
SCHEMBL29933044 0.76 ALB (0.55) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL184046 0.76 ALB (0.55) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1261333 0.76 KMT2A (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR NPC1 835/4885RAB9A 1165/4885VCP 1895/4885

“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.