SCHEMBL1708656

SCHEMBL1708656

CCNC(=O)Nc1nc2cc(C)cc(C(=O)NCC)c2s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABL1 P00519 9/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LCK P06239 2/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL1708003 0.90 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL1283007 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL18365218 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL1282966 0.84 ABL1 (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1708588 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL1708006 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL12469564 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1282245 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL220748 0.78 ABL1 (0.52) ABL1
SCHEMBL1282103 0.78 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1PIK3CA

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 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.