SCHEMBL5651098

SCHEMBL5651098

CC(C)(C)CC(C)(C)c1cc(/N=N/c2ccc(Br)cc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.31

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
SCHEMBL6869888 1.00 ACLY (0.33) ACLYGPR35ALDH1A1MAPTMAPK1
SCHEMBL6864712 0.90 ALDH1A1 (0.36) GPR35ALDH1A1MAPTMAPK1MEN1
SCHEMBL6864708 0.90 ALDH1A1 (0.36) GPR35ALDH1A1MAPTMAPK1MEN1
SCHEMBL5185716 0.89 CES2 (0.39) GPR35MAPTMEN1KMT2ACES2
SCHEMBL5185713 0.89 CES2 (0.39) GPR35MAPTMEN1KMT2ACES2
SCHEMBL29809621 0.89 CES2 (0.39) GPR35MAPTMEN1KMT2ACES2
SCHEMBL5643782 0.89 ALDH1A1 (0.43) ACLYGPR35ALDH1A1MAPTMAPK1
SCHEMBL6860980 0.89 KIF18A (0.37) GPR35ALDH1A1MAPTMAPK1MEN1
SCHEMBL6860982 0.89 KIF18A (0.37) GPR35ALDH1A1MAPTMAPK1MEN1
SCHEMBL10385275 0.89 GPR35 (0.41) GPR35ALDH1A1MAPTMAPK1MEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166659-B2 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 US disclosed
US-7148274-B2 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-12-12 US disclosed
EP-1337520-B1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS CIBA SC HOLDING AG (CH) 2004-12-15 EP disclosed
US-6815550-B2 DIAZOTIZING A 5-PERFLUOROALKYL-O-NITROANILINE WITH SULFURIC ACID AND ALKALI METAL NITRITE OR NITROSYLSULFURIC ACID; COUPLING WITH A PHENOL; AND REDUCING THE MONOAZOBENZENE INTERMEDIATE TO THE CORRESPONDING 2H-BENZOTRIAZOLE CIBA SPECIALTY CHEMICALS CORPORATION 2004-11-09 US disclosed
US-20040192927-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2004-09-30 US disclosed
US-20040157966-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2004-08-12 US disclosed
US-6774238-B2 REACTING 5-SUBSTITUTED BENZOTRIAZOLE WITH ARYLBORONIC ACID IN PRESENCE OF PALLADIUM CATALYST; DEHALOGENATION; ARYLATION CIBA SPECIALTY CHEMICALS CORPORATION 2004-08-10 US disclosed
US-20040092628-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparatiion thereof PASTOR STEPHEN D (US) 2004-05-13 US disclosed
US-6703510-B2 MORE STABLE AND DURABLE; AUTOMOTIVE COATINGS, CANDLE WAX CIBA SPECIALTY CHEMICALS CORPORATION 2004-03-09 US disclosed
US-20030213164-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2003-11-20 US disclosed
US-6649770-B1 Exhibit superior hydrolytic stability, handling and storage stability as well as good resistance to extractability when present in stabilized composition CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-18 US disclosed
EP-1337520-A1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS Ciba SC Holding AG (CH) 2003-08-27 EP disclosed
US-6605727-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-12 US disclosed
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-07-10 US disclosed
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-06-26 US disclosed
EP-1305298-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
WO-2002042281-A1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-30 WO disclosed
US-6387992-B1 HEAT, OXIDATION AND LIGHT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2002-05-14 US disclosed
WO-2002012202-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-02-14 WO 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 (5 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-20040192927-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof EBPL, DDT, AHR ACLY 1575/4885GPR35 1114/4885ALDH1A1 288/4885
US-20030213164-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof EBPL, DDT, AHR ACLY 1575/4885GPR35 1114/4885ALDH1A1 288/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ACLY 3985/4885GPR35 2639/4885ALDH1A1 858/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ACLY 3985/4885GPR35 2639/4885ALDH1A1 858/4885
US-20040092628-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparatiion thereof AHR, PAH, CCNL2 ACLY 2238/4885GPR35 1361/4885ALDH1A1 343/4885

“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.