SCHEMBL2068967

SCHEMBL2068967

Cc1ccc(S(=O)(=O)c2cccc(N)c2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
GAA P10253 3/20 0.52
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
FEN1 P39748 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPY1R P25929 1/20 0.42

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
SCHEMBL2004711 0.85 HTR6 (0.71) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL15444 0.83 HTR6 (0.74) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL29204880 0.83 GAA (0.48) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL30272576 0.80 GAA (0.65) KMT2AGAAHTR6ALDH1A1MEN1
SCHEMBL1660714 0.80 GAA (0.65) KMT2AGAAHTR6ALDH1A1MEN1
SCHEMBL6342597 0.79 ALOX15 (0.45) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL11853033 0.78 GAA (0.68) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL31000980 0.78 GAA (0.68) KMT2AGAAHTR6ALDH1A1KDM4E
SCHEMBL4797339 0.77 GAA (0.50) KMT2AGAAALDH1A1KDM4EMEN1
SCHEMBL8059962 0.77 GAA (0.60) KMT2AGAAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 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 (1 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 KMT2A 2635/4885GAA 2259/4885HTR6 1117/4885

“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.