SCHEMBL793209

SCHEMBL793209

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
POLB P06746 2/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL793239 0.91 NQO2 (0.39) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL879309 0.87 CA12 (0.42) MAPTMEN1KMT2APOLBGAA
SCHEMBL20644102 0.82 ACLY (0.46) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL22996828 0.81 CYP3A4 (0.47) MAPTMEN1KMT2APOLBGAA
SCHEMBL879348 0.81 CYP3A4 (0.47) MAPTKMT2APOLBGAAALDH1A1
SCHEMBL793325 0.81 KDM4E (0.48) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL516651 0.79 NOTUM (0.41) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL792634 0.79 NQO2 (0.44) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL792731 0.78 MAP2K1 (0.40) ALPLALDH1A1TP53SMN1; SMN2KDM4E
SCHEMBL793591 0.78 ALDH1A1 (0.39) ALDH1A1

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 MAPT 71/4885MEN1 1285/4885CASP3 2158/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R MAPT 71/4885MEN1 1285/4885CASP3 2158/4885

“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.