SCHEMBL3757887

SCHEMBL3757887

CCNC(=O)Nc1nc2cc(-c3cc(C)oc(=O)c3)c(F)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CG P48736 1/20 0.43

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 0.83 ABL1 (0.56) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL13798160 0.79 NPC1 (0.59) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3662337 0.78 ABL1 (0.58) ABL1PIK3CD
SCHEMBL3761014 0.78 PIK3CD (0.55) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3664905 0.78 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975200 0.77 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3661848 0.77 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3664150 0.77 ABL1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3658741 0.77 ABL1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL15260227 0.77 PIK3CD (0.48) ABL1NPC1RAB9ASMN1; SMN2PIK3CD

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 11 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-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO 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 ABL1 294/4885NPC1 1397/4885RAB9A 845/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885NPC1 2672/4885RAB9A 2295/4885

“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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