SCHEMBL1282863

SCHEMBL1282863

CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(/C(C)=N/OC)c2s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ABL1 P00519 10/20 0.45
PIK3CA P42336 2/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.39
NMT1 P30419 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
SCHEMBL1282865 1.00 SCD (0.46) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282432 0.89 NPC1 (0.50) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1281856 0.86 RAB9A (0.49) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL18365219 0.83 NPC1 (0.52) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282220 0.83 NPC1 (0.46) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282290 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1282291 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1708659 0.82 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1282583 0.82 ABL1 (0.47) SCDNPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282587 0.82 ABL1 (0.47) SCDNPC1RAB9ASMN1; SMN2ABL1

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 SCD 2792/4885NPC1 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.