SCHEMBL3276097

SCHEMBL3276097

CC(=O)Nc1ccc(N=O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50
ALOX5AP P20292 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL12589736 0.82 ALDH1A1 (0.54) PKMSMN1; SMN2POLBMAPTMEN1
SCHEMBL15883590 0.80 THRB (0.68) PKMSMN1; SMN2POLBMAPTMEN1
SCHEMBL90480 0.79 ALDH1A1 (0.39) PKMSMN1; SMN2POLBMAPTMEN1
SCHEMBL3192352 0.79 PKM (0.65) PKMSMN1; SMN2POLBMAPTMEN1
SCHEMBL10288515 0.78 ALDH1A1 (0.54) SMN1; SMN2POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL15360395 0.78 ALDH1A1 (0.38) PKMSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL13699547 0.77 MEN1 (0.48) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL17211587 0.77 MAPT (0.53) PKMSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL4958020 0.76 MAPT (0.69) PKMSMN1; SMN2POLBMAPTMEN1
SCHEMBL8537529 0.76 ALDH1A1 (0.62) PKMSMN1; SMN2POLBMAPTMEN1

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
CN-106928160-A A kind of preparation method of cresol-purple perchlorate 大连九信精细化工有限公司 2017-07-07 CN claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-7695930-B2 Method for the detection, identification and/or quantification of microoganisms with peptidase activity using phenoxazinone derivatives as enzyme substrates BIOMERIEUX (FR) 2010-04-13 US disclosed
US-20080286820-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2008-11-20 US disclosed
US-7420054-B2 Phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2008-09-02 US disclosed
EP-1625117-B1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX SA (FR) 2008-01-09 EP disclosed
US-20060121551-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2006-06-08 US disclosed
EP-1625117-A1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2006-02-15 EP disclosed
WO-2004101536-A1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2004-11-25 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-20060121551-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity PEPD, CTRL, PM20D2 PKM 754/4885SMN1; SMN2 4814/4885POLB 1592/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PKM 570/4885SMN1; SMN2 1363/4885POLB 1848/4885

“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.