SCHEMBL3753152

SCHEMBL3753152

CCNC(=O)Nc1nc2cc(-c3ccc4nncn4c3)ccc2s1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ABL1 P00519 11/20 0.53
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3CD O00329 1/20 0.46

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
SCHEMBL3659736 0.84 ABL1 (0.55) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3659841 0.82 ABL1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3757334 0.80 ABL1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3659798 0.78 ABL1 (0.57) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3661487 0.78 ABL1 (0.57) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3662294 0.75 ABL1 (0.59) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3761758 0.75 ABL1 (0.54) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3664916 0.74 ABL1 (0.64) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3764995 0.74 ABL1 (0.58) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13798182 0.74 NPC1 (0.69) 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 9 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
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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 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 (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.