SCHEMBL1282532

SCHEMBL1282532

CCNC(=O)Nc1nc2cc(Br)c(OC)c(Br)c2s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47

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
SCHEMBL6067914 0.82 ABL1 (0.55) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL220904 0.79 NPC1 (0.54) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282482 0.79 ABL1 (0.68) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1708588 0.78 NPC1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL221596 0.77 NPC1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL221407 0.76 NPC1 (0.54) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1682895 0.76 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL14347170 0.75 NPC1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL222813 0.74 PIK3CG (0.68) ABL1PIK3CAPIK3CG
SCHEMBL15259988 0.74 NPC1 (0.59) 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 7 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
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 — — WO 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.

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