SCHEMBL1283113

SCHEMBL1283113

CCNC(=O)Nc1nc2cc(OS(=O)(=O)C(F)(F)F)cc(/C(C)=N/OC)c2s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL1292371 1.00 ABL1 (0.41) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282103 0.87 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1709506 0.86 ABL1 (0.42) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282766 0.86 ABL1 (0.42) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1708659 0.85 ABL1 (0.44) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL17233341 0.82 PIK3CD (0.32) ABL1PIK3CAPIK3CGPIK3CD
SCHEMBL1282511 0.82 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282508 0.82 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282291 0.81 NPC1 (0.46) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282290 0.81 NPC1 (0.46) ABL1NPC1RAB9ASMN1; SMN2PIK3CA

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.