SCHEMBL1046142

SCHEMBL1046142

N#Cc1nc2ccc(O)c([N+](=O)[O-])c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
CTSB P07858 3/20 0.38
GSK3A P49840 4/20 0.36
GSK3B P49841 4/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GPR35 Q9HC97 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL18137288 0.79 ALDH1A1 (0.39) CTSBMAPTALDH1A1GPR35MEN1
SCHEMBL30076339 0.78 MAPT (0.49) CTSBCDK1CCNB1MAPTALDH1A1
SCHEMBL28991131 0.78 MAPT (0.49) CTSBCDK1CCNB1MAPTALDH1A1
SCHEMBL4743474 0.74 MAPT (0.44) PSMB8CTSBGSK3AGSK3BCCNB2
SCHEMBL8022630 0.74 PSMB8 (0.57) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL8034068 0.74 PSMB8 (0.49) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL1044855 0.72 PSMB8 (0.34) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL18137287 0.68 DYRK1A (0.36) CTSBGSK3AGSK3BCDK1CCNB1
SCHEMBL31215568 0.68 RIPK1 (0.52) MAPTALDH1A1KMT2APOLBHTT
SCHEMBL4363348 0.66 GPR35 (0.60) CTSBMAPTALDH1A1GPR35ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932365-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2018-04-03 US disclosed
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9689868-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2017-06-27 US disclosed
EP-2626703-B1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORP (US) 2017-05-03 EP disclosed
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 EP disclosed
US-20170016888-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-01-19 US disclosed
EP-2269064-B1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORP (US) 2016-11-30 EP disclosed
US-9459249-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2016-10-04 US disclosed
EP-2626703-A1 Protein labeling with cyanobenzothiazole conjugates Promega Corporation (US) 2013-08-14 EP disclosed
EP-2269064-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2011-01-05 EP disclosed
WO-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 WO disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 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-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates QPCTL, BCAT1, QPCT PSMB8 1583/4885CTSB 2667/4885GSK3A 4364/4885
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES QPCTL, BCAT1, QPCT PSMB8 1583/4885CTSB 2667/4885GSK3A 4364/4885

“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.