SCHEMBL6575637

SCHEMBL6575637

COc1cc(OC)cc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MTOR P42345 1/20 0.38
MAPT P10636 2/20 0.36
PLA2G2A P14555 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS2 P35354 1/20 0.36
DHODH Q02127 2/20 0.36
SMPD3 Q9NY59 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
GRK6 P43250 1/20 0.34
TEK Q02763 1/20 0.34

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
SCHEMBL6576417 0.89 PARP1 (0.48) PARP1HDAC6SMN1; SMN2ALDH1A1HPGD
SCHEMBL6574413 0.88 PARP1 (0.55) PARP1HDAC6SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6576419 0.87 MAPT (0.39) HDAC6SMN1; SMN2HSD17B10ALDH1A1HPGD
Bisdisulizole SCHEMBL29507075 0.83 HDAC6 (0.52) PARP1HDAC6HSD17B10ALDH1A1HPGD
Bisdisulizole SCHEMBL62139 0.83 HDAC6 (0.52) PARP1HDAC6HSD17B10ALDH1A1HPGD
Bisdisulizole SCHEMBL29507102 0.83 HDAC6 (0.52) PARP1HDAC6HSD17B10ALDH1A1HPGD
Bisdisulizole SCHEMBL1830829 0.81 HDAC6 (0.51) PARP1HDAC6HSD17B10ALDH1A1HPGD
Bisdisulizole SCHEMBL4777834 0.81 HDAC6 (0.51) PARP1HDAC6HSD17B10ALDH1A1HPGD
SCHEMBL6575742 0.79 HDAC6 (0.63) PARP1HDAC6MAPTDHODHMEN1
SCHEMBL6577948 0.79 CHEK2 (0.48) HDAC6SMN1; SMN2HSD17B10ALDH1A1HPGD

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 PARP1 1843/4885HDAC6 2469/4885SMN1; SMN2 3751/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 PARP1 666/4885HDAC6 3911/4885SMN1; SMN2 4243/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 PARP1 1798/4885HDAC6 2506/4885SMN1; SMN2 3612/4885

“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.