SCHEMBL6574413

SCHEMBL6574413

COc1cccc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
AURKA O14965 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
NR1I2 O75469 1/20 0.47
VDR P11473 1/20 0.47
CYP2B6 P20813 1/20 0.47
AHR P35869 1/20 0.47
NR1I3 Q14994 1/20 0.47
PIN1 Q13526 1/20 0.47
SLC9A1 P19634 1/20 0.47
DHODH Q02127 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6575637 0.88 PARP1 (0.40) PARP1SLC9A1DHODHKDM4EMEN1
SCHEMBL6576423 0.88 CYP1A2 (0.45) PARP1CYP1A2CYP2C9DHODHKDM4E
SCHEMBL6576417 0.87 PARP1 (0.48) PARP1AURKAKDM4EMEN1KMT2A
SCHEMBL6575742 0.83 HDAC6 (0.63) PARP1CYP1A2CYP2C9DHODHMEN1
Bisdisulizole SCHEMBL29507102 0.81 HDAC6 (0.52) PARP1CYP2C9DHODHKDM4EMEN1
Bisdisulizole SCHEMBL62139 0.81 HDAC6 (0.52) PARP1CYP2C9DHODHKDM4EMEN1
Bisdisulizole SCHEMBL29507075 0.81 HDAC6 (0.52) PARP1CYP2C9DHODHKDM4EMEN1
SCHEMBL6575734 0.81 HDAC6 (0.48) CYP2C9DHODHHDAC6CYP3A4CYP2C19
Bisdisulizole SCHEMBL1830829 0.80 HDAC6 (0.51) PARP1CYP2C9DHODHKDM4EMEN1
Bisdisulizole SCHEMBL4777834 0.80 HDAC6 (0.51) PARP1CYP2C9DHODHKDM4EMEN1

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 1843/4885AURKA 4655/4885CYP1A2 187/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 PARP1 666/4885AURKA 2249/4885CYP1A2 34/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 PARP1 1798/4885AURKA 4693/4885CYP1A2 211/4885

“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.