SCHEMBL3759123

SCHEMBL3759123

CCNC(=O)Nc1nc2cc(-c3cc(C)oc(=O)c3)cnc2s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CG P48736 1/20 0.42

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
SCHEMBL3751023 0.82 ABL1 (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13299057 0.79 PIK3CA (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13580034 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13299067 0.77 PIK3CA (0.50) ABL1PIK3CAPIK3CG
SCHEMBL3663678 0.77 ABL1 (0.56) ABL1
SCHEMBL3764077 0.77 ABL1 (0.49) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13798313 0.77 ABL1 (0.49) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3757887 0.76 ABL1 (0.48) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13299066 0.76 PIK3CA (0.49) ABL1PIK3CAPIK3CG
SCHEMBL3663464 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 — — EP claimed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 — — US claimed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 — — US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 — — EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 — — US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 — — US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 — — US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 — — US disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 — — 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-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA NPC1 1397/4885RAB9A 845/4885SMN1; SMN2 4531/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK NPC1 2672/4885RAB9A 2295/4885SMN1; SMN2 3360/4885

“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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