SCHEMBL792763

SCHEMBL792763

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.37
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
S100A4 P26447 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL793069 0.89 ALDH1A1 (0.36) ILKPDE10AMEN1KMT2ANPC1
SCHEMBL793107 0.78 ILK (0.46) ILKMEN1KMT2ANPC1RAB9A
SCHEMBL792854 0.74 ILK (0.39) ILKPDE10AMEN1KMT2ANPC1
SCHEMBL792512 0.69 ILK (0.41) ILKPDE10AMEN1KMT2ANPC1
SCHEMBL27718200 0.68 PDE10A (0.40) PDE10AMEN1KMT2AS100A4MAPT
SCHEMBL792336 0.67 TYK2 (0.40) ILKSMN1; SMN2LMNAPIM3MAPK1
SCHEMBL792394 0.67 TYK2 (0.43) ILKMAPTALDH1A1
SCHEMBL999378 0.66 TDP1 (0.45) PDE10AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12925755 0.65 TDP1 (0.57) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL31511393 0.64 PIN1 (0.49) PDE10AMEN1KMT2AS100A4MAPT

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 ILK 4153/4885PDE10A 1270/4885MEN1 1285/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ILK 4153/4885PDE10A 1270/4885MEN1 1285/4885

“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.