SCHEMBL1780411

SCHEMBL1780411

N=C(N)c1c(O)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
THRB P10828 1/20 0.37
SPR P35270 1/20 0.36
LMNA P02545 4/20 0.36
IDO1 P14902 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
BACE1 P56817 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
SCHEMBL17329160 0.78 ALDH1A1 (0.52) TSHRALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL8376644 0.77 TSHR (0.44) TSHRALDH1A1F2PLAUPLAT
SCHEMBL4737570 0.77 BACE1 (0.50) ALDH1A1LMNATAAR1BACE1KMT2A
SCHEMBL10495291 0.76 ALDH1A1 (0.41) TSHRALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL3717023 0.75 BACE1 (0.49) ALDH1A1LMNATAAR1BACE1KMT2A
2-Chlorophenol SCHEMBL28465787 0.75 ALDH1A1 (0.75) TSHRALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL8378249 0.74 ALOX15 (0.46) TSHRALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL8596256 0.72 CA2 (0.37) ALDH1A1CA1CA2CA12CA7
SCHEMBL330729 0.71 CA12 (0.70) TSHRALDH1A1CA1CA2CA12
SCHEMBL10495289 0.71 KDM4E (0.57) TSHRALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173641-B2 4-amino-1,2,3-benzoxathiazine-derivatives as pesticides BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-8173641-B2 4-amino-1,2,3-benzoxathiazine-derivatives as pesticides BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-8173641-B2 4-amino-1,2,3-benzoxathiazine-derivatives as pesticides BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
CN-102317271-A 4-Amino-1,2,3-benzoxathiazine-derivatives as pesticides BAYER CROPSCIENCE AG 2012-01-11 CN disclosed
EP-2376465-A1 4-AMINO-1,2,3- BENZOXATHIAZINE DERIVATIVES AS PESTICIDES Bayer CropScience AG (DE) 2011-10-19 EP disclosed
US-20110118240-A2 4-Amino-1,2,3-Benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118240-A2 4-Amino-1,2,3-Benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118240-A2 4-Amino-1,2,3-Benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20100267703-A1 4-Amino-1,2,3-benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2010-10-21 US disclosed
US-20100267703-A1 4-Amino-1,2,3-benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2010-10-21 US disclosed
US-20100267703-A1 4-Amino-1,2,3-benzoxathiazine-Derivatives as Pesticides BAYER CROPSCIENCE AG (DE) 2010-10-21 US disclosed
WO-2010072310-A1 4-AMINO-1,2,3- BENZOXATHIAZINE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-07-01 WO disclosed
WO-2010072310-A1 4-AMINO-1,2,3- BENZOXATHIAZINE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-07-01 WO disclosed
EP-2196461-A1 4-Amino-1,2,3-benzoxathiazine-derivatives as pesticides Bayer CropScience AG (DE) 2010-06-16 EP disclosed
EP-2196461-A1 4-Amino-1,2,3-benzoxathiazine-derivatives as pesticides Bayer CropScience AG (DE) 2010-06-16 EP 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-20100267703-A1 4-Amino-1,2,3-benzoxathiazine-Derivatives as Pesticides P2RX5, SLC1A5, P2RX4 TSHR 1443/4885ALDH1A1 2671/4885CA1 713/4885
US-20110118240-A2 4-Amino-1,2,3-Benzoxathiazine-Derivatives as Pesticides P2RX5, P2RX4, SLC1A5 TSHR 1290/4885ALDH1A1 2519/4885CA1 701/4885

“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.