SCHEMBL792731

SCHEMBL792731

O=C(O)c1c(F)cc(I)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.40
DPP4 P27487 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
GPR17 Q13304 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
MAP2K2 P36507 1/20 0.33
TTR P02766 1/20 0.33
RPA1 P27694 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
ALPL P05186 1/20 0.32
DAO P14920 2/20 0.31
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL27141368 0.85 GPR17 (0.39) MAP2K1DPP4KEAP1NFE2L2GPR17
SCHEMBL793000 0.85 DPP4 (0.43) MAP2K1DPP4TTRALDH1A1SMN1; SMN2
SCHEMBL793591 0.84 ALDH1A1 (0.39) MAP2K1ALDH1A1
SCHEMBL4043412 0.79 AKR1C4 (0.45) DPP4KEAP1NFE2L2RPA1ALDH1A1
SCHEMBL16460187 0.79 RORC (0.43) DPP4KEAP1NFE2L2TTRALDH1A1
SCHEMBL793209 0.78 MAPT (0.39) ALDH1A1SMN1; SMN2KDM4EALPLTP53
SCHEMBL791574 0.78 TTR (0.54) DPP4TTRALDH1A1SMN1; SMN2TSHR
SCHEMBL23601106 0.76 GPR17 (0.35) MAP2K1GPR17MAP2K2
SCHEMBL9769361 0.76 THRB (0.41) DPP4KEAP1NFE2L2TTRRPA1
SCHEMBL516744 0.76 WDR5 (0.40) DPP4KEAP1NFE2L2GPR17ANO1

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 MAP2K1 4768/4885DPP4 2136/4885KEAP1 3303/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R MAP2K1 4768/4885DPP4 2136/4885KEAP1 3303/4885

“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.