SCHEMBL3662750

SCHEMBL3662750

CCNC(=O)Nc1nc2cc(-c3cnn(CCN4CCOCC4)c3)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPC P11150 6/20 0.57
ABL1 P00519 6/20 0.55
LIPG Q9Y5X9 3/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR1 P11362 1/20 0.46
MET P08581 2/20 0.45
CYP3A4 P08684 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3659798 0.84 ABL1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL2739755 0.80 ABL1 (0.48) ABL1
SCHEMBL3659787 0.80 WNT3A (0.51) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL4349216 0.74 MAPK1 (0.74) PIK3CA
SCHEMBL3757870 0.74 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3661487 0.73 ABL1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
Hydrochloric Acid SCHEMBL1843076 0.73 FGFR1 (0.43) ABL1FGFR1
SCHEMBL15464086 0.73 LIPC (1.00) LIPCLIPG
SCHEMBL3662294 0.72 ABL1 (0.59) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3662159 0.72 ABL1 (0.51) ABL1SMN1; SMN2

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-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
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP 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 LIPC 1715/4885ABL1 294/4885LIPG 1580/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK LIPC 4087/4885ABL1 89/4885LIPG 4873/4885

“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.