SCHEMBL6576417

SCHEMBL6576417

COc1ccc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
PLA2G2A P14555 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
CHEK2 O96017 6/20 0.44
SLC2A1 P11166 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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 0.90 HDAC6 (0.52) PARP1MAPTALDH1A1KDM4EHDAC6
Bisdisulizole SCHEMBL62139 0.90 HDAC6 (0.52) PARP1MAPTALDH1A1KDM4EHDAC6
Bisdisulizole SCHEMBL29507102 0.90 HDAC6 (0.52) PARP1MAPTALDH1A1KDM4EHDAC6
SCHEMBL6575637 0.89 PARP1 (0.40) PARP1PLA2G2AALOX15PTGS2SMN1; SMN2
Bisdisulizole SCHEMBL1830829 0.88 HDAC6 (0.51) PARP1MAPTALDH1A1KDM4EHDAC6
Bisdisulizole SCHEMBL4777834 0.88 HDAC6 (0.51) PARP1MAPTALDH1A1KDM4EHDAC6
SCHEMBL6574413 0.87 PARP1 (0.55) PARP1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6577948 0.87 CHEK2 (0.48) ALOX15SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL20848229 0.85 HDAC6 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6575742 0.83 HDAC6 (0.63) PARP1MAPTNPC1RAB9AHDAC6

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 1843/4885PLA2G2A 3335/4885ALOX15 2103/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 PARP1 666/4885PLA2G2A 1935/4885ALOX15 190/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 PARP1 1798/4885PLA2G2A 3291/4885ALOX15 1929/4885

“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.