SCHEMBL1709528

SCHEMBL1709528

CCCCOc1cc(C#N)c2sc(NC(=O)NCC)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL10235342 0.87 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPK8
SCHEMBL1282762 0.84 NPC1 (0.48) ABL1NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL1682895 0.84 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1709529 0.82 ABL1 (0.47) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1708006 0.81 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL13562821 0.79 NPC1 (0.60) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1682897 0.77 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1684084 0.70 NPC1 (0.51) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL6067961 0.70 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282966 0.69 ABL1 (0.56) ABL1NPC1RAB9ASMN1; SMN2GSK3B

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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ABL1 537/4885NPC1 1032/4885RAB9A 915/4885

“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.