SCHEMBL6575734

SCHEMBL6575734

O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccc4ccccc4c3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
CHEK2 O96017 4/20 0.44
SCD O00767 1/20 0.38
DHODH Q02127 7/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPBWR1 P48145 1/20 0.37

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
Bisdisulizole SCHEMBL62139 0.88 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL29507102 0.88 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL29507075 0.88 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
SCHEMBL6575742 0.87 HDAC6 (0.63) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL1830829 0.87 HDAC6 (0.51) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL4777834 0.87 HDAC6 (0.51) HDAC6SCDDHODHCYP3A4CYP2D6
SCHEMBL275643 0.84 HDAC6 (0.49) HDAC6DHODH
SCHEMBL6576417 0.81 PARP1 (0.48) HDAC6CHEK2NPBWR1
SCHEMBL6574413 0.81 PARP1 (0.55) HDAC6DHODHCYP3A4CYP2C9CYP2C19
SCHEMBL22902385 0.81 HDAC6 (0.46) HDAC6SCDDHODHCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167359-B1 Process for the preparation of 2-arylbenzimidazole sulphonic acids MERCK PATENT GMBH (DE) 2004-04-28 EP disclosed
US-6593476-B2 Using 2-arylbenzimidazolesulfonic acid MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-07-15 US disclosed
US-20020013474-A1 Process for the preparation of UV filter substances MERCK PATENT GESELLSCHAFT 2002-01-31 US disclosed
EP-1167359-A1 Process for the preparation of 2-arylbenzimidazole sulphonic acids and their use as UV-filters MERCK PATENT GmbH (DE) 2002-01-02 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-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 HDAC6 3911/4885CHEK2 3150/4885SCD 2051/4885

“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.