SCHEMBL1708351

SCHEMBL1708351

CCNC(=O)Nc1nc2c(F)c(Br)cc(-c3ccccn3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ABL1 P00519 8/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1684077 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL1842244 0.88 DYRK1A (0.41) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2179043 0.85 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2179449 0.85 MAPT (0.39) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1707976 0.85 ADORA2A (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1841659 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1841588 0.84 — —
SCHEMBL1842825 0.83 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1843890 0.83 ABL1 (0.45) NPC1RAB9ASMN1; SMN2ABL1
Lithium SCHEMBL1842859 0.82 NPC1 (0.50) 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 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-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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — 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 (2 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
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI NPC1 3448/4885RAB9A 3428/4885SMN1; SMN2 4463/4885

“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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