SCHEMBL490323

SCHEMBL490323

O=S(=O)(O)c1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.86
SCD O00767 8/20 0.66
NPBWR1 P48145 1/20 0.62
CHEK2 O96017 2/20 0.57
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL15895542 0.93 HDAC6 (0.75) HDAC6SCDNPBWR1CHEK2CYP2C9
SCHEMBL5178280 0.93 HDAC6 (0.84) HDAC6SCDNPBWR1CHEK2CYP2C9
SCHEMBL30884657 0.93 HDAC6 (0.94) HDAC6SCDNPBWR1CHEK2CYP2C9
Ensulizole SCHEMBL38724 0.92 HDAC6 (1.00) HDAC6SCDNPBWR1CHEK2CYP2C9
Ensulizole SCHEMBL7751558 0.92 HDAC6 (1.00) HDAC6SCDNPBWR1CHEK2CYP2C9
Ensulizole SCHEMBL1276071 0.91 HDAC6 (0.97) HDAC6SCDNPBWR1CHEK2CYP2C9
Ensulizole SCHEMBL28708898 0.91 HDAC6 (0.97) HDAC6SCDNPBWR1CHEK2CYP2C9
Ensulizole SCHEMBL17351654 0.91 HDAC6 (0.97) HDAC6SCDNPBWR1CHEK2CYP2C9
SCHEMBL5686285 0.90 HDAC6 (0.76) HDAC6SCDNPBWR1CHEK2
Water SCHEMBL10770159 0.90 HDAC6 (0.75) HDAC6SCDNPBWR1CHEK2CYP2C9

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346249-A1 COMPOSITION COMPRISING A UV-SCREENING AGENT, AN ANIONIC CROSSLINKED HYDROPHILIC POLYMER, A SURFACTANT HAVING AN HLB LESS THAN OR EQUAL TO 5 AND A SILICONE COPOLYMER L'OREAL (FR) 2021-11-11 US disclosed
EP-3185843-B1 GEL COMPOSITION AND GEL COMPRISING A UV FILTER OREAL (FR) 2021-08-11 EP disclosed
EP-3389618-B1 PROCESS FOR TREATING KERATIN FIBRES USING AN AQUEOUS COMPOSITION COMPRISING A COMBINATION OF PARTICULAR ALKOXYSILANES OREAL (FR) 2021-01-20 EP disclosed
EP-3389604-B1 COMPOSITION COMPRISING A COMBINATION OF PARTICULAR ALKOXYSILANES AND A FATTY SUBSTANCE OREAL (FR) 2020-04-08 EP disclosed
US-20200030200-A1 COMPOSITION COMPRISING A UV-SCREENING AGENT, AN ANIONIC CROSSLINKED HYDROPHILIC POLYMER, A SURFACTANT HAVING AN HLB LESS THAN OR EQUAL TO 5 AND A SILICONE COPOLYMER L'OREAL (FR) 2020-01-30 US disclosed
EP-3307233-B1 COMPOSITION COMPRISING A UV-SCREENING AGENT, AN ANIONIC CROSSLINKED HYDROPHILIC POLYMER, A SURFACTANT HAVING AN HLB LESS THAN OR EQUAL TO 5 AND A SILICONE COPOLYMER OREAL (FR) 2019-11-06 EP disclosed
EP-2259768-B1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2019-05-22 EP disclosed
US-10278911-B2 Compositions containing cyclic peptides and methods of use MERCK PATENT GMBH (DE) 2019-05-07 US disclosed
EP-2945603-B1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND A UVA-SCREENING AGENT OF THE AMINO-SUBSTITUTED 2-HYDROXYBENZOPHENONE TYPE AND/OR A HYDROPHILIC ORGANIC UVA-SCREENING AGENT OREAL (FR) 2019-03-27 EP disclosed
WO-2019002494-A1 USE OF A WASHING COMPOSITION COMPRISING SURFACTANTS AND CATIONIC AND/OR AMPHOTERIC POLYMERS IN COMBINATION WITH A COMPOSITION COMPRISING ANIONIC BENEFICIAL AGENTS L'OREAL (FR) 2019-01-03 WO disclosed
US-20050043398-A1 Use of chromen-4-one derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2005-02-24 US disclosed
EP-1508327-A1 Use of chromen-4-one derivatives for the care of skin and hair MERCK PATENT GmbH (DE) 2005-02-23 EP disclosed
US-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
EP-1493431-A2 Use of an extract of bauhinia for the preparation of pharmaceutical and cosmetic compositions MERCK PATENT GmbH (DE) 2005-01-05 EP disclosed
WO-2004092283-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GMBH (DE) 2004-10-28 WO disclosed
WO-2004091567-A2 COSMETIC FORMULATIONS COMPRISING ANTIMICROBIAL PIGMENTS MERCK PATENT GMBH (DE) 2004-10-28 WO disclosed
US-20040091433-A1 Light-protection agents MERCK PATENT GMBH (DE) 2004-05-13 US disclosed
US-20040067894-A1 Preparation having antioxidant properties MERCK PATENT GMBH (DE) 2004-04-08 US disclosed
EP-1400579-A2 Composition with anti-oxidative properties MERCK PATENT GmbH (DE) 2004-03-24 EP disclosed
EP-1382329-A1 Compositions for photoprotection comprising a flavonoid MERCK PATENT GmbH (DE) 2004-01-21 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 (7 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-20040091433-A1 Light-protection agents CBR1, CYC1, C9 HDAC6 3965/4885SCD 1780/4885NPBWR1 957/4885
US-20040067894-A1 Preparation having antioxidant properties GPX1, CBR1, CYC1 HDAC6 2984/4885SCD 1009/4885NPBWR1 1936/4885
US-10278911-B2 Compositions containing cyclic peptides and methods of use CUTA, NGLY1, CALCA HDAC6 2640/4885SCD 3637/4885NPBWR1 160/4885
US-20200030200-A1 COMPOSITION COMPRISING A UV-SCREENING AGENT, AN ANIONIC CROSSLINKED HYDROPHILIC POLYMER, A SURFACTANT HAVING AN HLB LESS THAN OR EQUAL TO 5 AND A SILICONE COPOLYMER ERCC5, CUTA, PLIN5 HDAC6 4356/4885SCD 1595/4885NPBWR1 2990/4885
US-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing ITCH, CUTA, POLR1C HDAC6 2009/4885SCD 2886/4885NPBWR1 4391/4885
US-20050043398-A1 Use of chromen-4-one derivatives CYP8B1, CYP7B1, CYP2R1 HDAC6 2592/4885SCD 2562/4885NPBWR1 3840/4885
US-20210346249-A1 COMPOSITION COMPRISING A UV-SCREENING AGENT, AN ANIONIC CROSSLINKED HYDROPHILIC POLYMER, A SURFACTANT HAVING AN HLB LESS THAN OR EQUAL TO 5 AND A SILICONE COPOLYMER ERCC5, CUTA, PLIN5 HDAC6 4356/4885SCD 1595/4885NPBWR1 2990/4885

“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.