SCHEMBL1708006

SCHEMBL1708006

CCNC(=O)Nc1nc2cc(C)cc(C#N)c2s1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABL1 P00519 8/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
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
SCHEMBL18365218 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL6067961 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1709528 0.81 ABL1 (0.46) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1708588 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL1708003 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL1708656 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL2739674 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1282762 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL13798182 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL18365225 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ABL1MEN1

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.