SCHEMBL6576419

SCHEMBL6576419

CCOc1cc(OCC)cc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CHEK2 O96017 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP1A2 P05177 3/20 0.35

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
SCHEMBL6577948 0.90 CHEK2 (0.48) MAPTHDAC6CHEK2SMN1; SMN2TP53
SCHEMBL6576423 0.89 CYP1A2 (0.45) MAPTHDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL6575637 0.87 PARP1 (0.40) MAPTHDAC6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6578557 0.83 MAPT (0.47) MAPTHDAC6CHEK2SMN1; SMN2TP53
Bisdisulizole SCHEMBL62139 0.80 HDAC6 (0.52) MAPTHDAC6ALDH1A1KDM4ELMNA
Bisdisulizole SCHEMBL29507102 0.80 HDAC6 (0.52) MAPTHDAC6ALDH1A1KDM4ELMNA
Bisdisulizole SCHEMBL29507075 0.80 HDAC6 (0.52) MAPTHDAC6ALDH1A1KDM4ELMNA
SCHEMBL6576417 0.79 PARP1 (0.48) MAPTHDAC6CHEK2SMN1; SMN2TP53
Bisdisulizole SCHEMBL1830829 0.79 HDAC6 (0.51) MAPTHDAC6ALDH1A1KDM4ELMNA
Bisdisulizole SCHEMBL4777834 0.79 HDAC6 (0.51) MAPTHDAC6ALDH1A1KDM4ELMNA

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-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
EP-1167358-A1 2-Phenylbenzimidazole sulphonic acids as UV-B 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 MAPT 4399/4885HDAC6 2469/4885CHEK2 1293/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 MAPT 3825/4885HDAC6 3911/4885CHEK2 3150/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 MAPT 4449/4885HDAC6 2506/4885CHEK2 1245/4885

“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.