SCHEMBL6575742

SCHEMBL6575742

O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.63
NPBWR1 P48145 1/20 0.49
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
SCD O00767 1/20 0.47
DHODH Q02127 8/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PARP1 P09874 2/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41

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 SCHEMBL29507075 0.93 HDAC6 (0.52) HDAC6NPBWR1CYP2C9CYP2C19SCD
Bisdisulizole SCHEMBL62139 0.93 HDAC6 (0.52) HDAC6NPBWR1CYP2C9CYP2C19SCD
Bisdisulizole SCHEMBL29507102 0.93 HDAC6 (0.52) HDAC6NPBWR1CYP2C9CYP2C19SCD
Bisdisulizole SCHEMBL1830829 0.92 HDAC6 (0.51) HDAC6NPBWR1CYP2C9CYP2C19SCD
Bisdisulizole SCHEMBL4777834 0.92 HDAC6 (0.51) HDAC6NPBWR1CYP2C9CYP2C19SCD
SCHEMBL275643 0.88 HDAC6 (0.49) HDAC6DHODHPARP1GAA
SCHEMBL6575734 0.87 HDAC6 (0.48) HDAC6NPBWR1CYP2C9CYP2C19SCD
SCHEMBL14224890 0.85 HDAC6 (0.46) HDAC6NPBWR1CYP2C9CYP2C19SCD
SCHEMBL22902385 0.85 HDAC6 (0.46) HDAC6NPBWR1CYP2C9CYP2C19SCD
SCHEMBL20848229 0.85 HDAC6 (0.46) HDAC6SCDDHODHRPS6KA3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167358-B1 2-Phenylbenzimidazole sulphonic acids as UV-B filters MERCK PATENT GMBH (DE) 2004-09-15 EP disclosed
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-6440401-B1 2-PHENYLBENZIMIDAZOLEDI- AND TRISULFONIC ACIDS; COSMETIC FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-08-27 US disclosed
US-20020055532-A1 UV-B filter MERCK PATENT GESELLSCHAFT (DE) 2002-05-09 US disclosed
US-20020016349-A1 UV-B filters MERCK PATENT GESELLSCHAFT (DE) 2002-02-07 US disclosed
US-20020013474-A1 Process for the preparation of UV filter substances MERCK PATENT GESELLSCHAFT 2002-01-31 US disclosed
EP-1167358-A1 2-Phenylbenzimidazole sulphonic acids as UV-B filters MERCK PATENT GmbH (DE) 2002-01-02 EP 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 (3 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-20020055532-A1 UV-B filter CBR1, UQCRB, H1-0 HDAC6 2469/4885NPBWR1 932/4885CYP2C9 133/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 HDAC6 3911/4885NPBWR1 2326/4885CYP2C9 50/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 HDAC6 2506/4885NPBWR1 1005/4885CYP2C9 151/4885

“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.