SCHEMBL3661653

SCHEMBL3661653

CCNC(=O)Nc1nc2cc(Br)c(F)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ABL1 P00519 11/20 0.56
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
DYRK1A Q13627 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
Valine SCHEMBL3664153 0.89 ABL1 (0.48) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL15259988 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL13798160 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL13798157 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL6068056 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL4496509 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL1282482 0.83 ABL1 (0.68) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL14824329 0.80 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL3657208 0.80 DYRK1A (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL1303393 0.80 RAB9A (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US 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-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
CN-102015700-A Antibacterial condensed thiazoles PROLYSIS LTD 2011-04-13 CN 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
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
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 (3 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD NPC1 1870/4885RAB9A 945/4885SMN1; SMN2 4614/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS NPC1 2454/4885RAB9A 1596/4885SMN1; SMN2 4323/4885
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.