SCHEMBL1282220

SCHEMBL1282220

C=C(OCC)c1cc(OCc2ccccc2)cc2nc(NC(=O)NCC)sc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ABL1 P00519 9/20 0.46
SCD O00767 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CSNK1D P48730 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL1282432 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1281856 0.87 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL18365219 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282865 0.83 SCD (0.46) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282863 0.83 SCD (0.46) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1684082 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1684084 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL220595 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1284021 0.81 ABL1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282762 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1SCD

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 6 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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
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
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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 NPC1 1032/4885RAB9A 915/4885SMN1; SMN2 4065/4885

“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.