SCHEMBL1534490

SCHEMBL1534490

COc1c(C(=O)C#Cc2ccccc2)ccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 2/20 0.40
AGTR1 P30556 1/20 0.40
PAX8 Q06710 1/20 0.40
TLR9 Q9NR96 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
NLRP3 Q96P20 1/20 0.39
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1534561 0.85 VCP (0.42) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL17813592 0.77 LMNA (0.50) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL1534488 0.76 HSP90AA1 (0.44) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL1534486 0.75 NPC1 (0.48) VCPNPC1RAB9AMEN1KMT2A
SCHEMBL1534617 0.75 MAPT (0.46) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL1534467 0.74 NPC1 (0.44) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL1534679 0.74 VCP (0.44) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL1534392 0.74 TDP1 (0.46) VCPNPSR1NPC1RAB9AHSP90AA1
SCHEMBL17813595 0.72 KDM4E (0.48) RAB9APOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31571354 0.72 KDM4E (0.48) RAB9APOLBLMNASMN1; SMN2ALDH1A1

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 VCP 1895/4885NPSR1 3141/4885NPC1 835/4885

“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.