SCHEMBL793069

SCHEMBL793069

O=[N+]([O-])c1cccc(Cl)c1-c1nc2c(F)cncc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 5/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LCK P06239 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGES O14684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL792763 0.89 ILK (0.37) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL792854 0.85 ILK (0.39) ALDH1A1LMNAMAPK1HTTMAPT
SCHEMBL792085 0.82 ILK (0.40) ALDH1A1LMNAMAPK1HTTMAPT
SCHEMBL792512 0.79 ILK (0.41) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL792394 0.76 TYK2 (0.43) ALDH1A1HTTMAPTPOLBLCK
SCHEMBL792336 0.72 TYK2 (0.40) LMNAMAPK1HTTSMN1; SMN2PTGES
SCHEMBL793107 0.70 ILK (0.46) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL792917 0.68 TYK2 (0.48) ALDH1A1LMNAMAPK1HTTMAPT
SCHEMBL792864 0.67 TYK2 (0.49)
SCHEMBL792774 0.66 ILK (0.37) ALDH1A1LMNAMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885LMNA 2558/4885MAPK1 3882/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885LMNA 2558/4885MAPK1 3882/4885

“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.