SCHEMBL5833949

SCHEMBL5833949

CC(C)(c1ccccc1)c1cc(CCC(=O)O)cc(-n2nc3ccc(Br)cc3n2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGFR P43088 3/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
ACHE P22303 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL5834400 0.89 GAA (0.39) MAOBMAOATHRATHRBESR1
SCHEMBL7778894 0.89 MAOB (0.33) NPC1RAB9AMAOBMAOAACHE
SCHEMBL5834041 0.89 KDM4E (0.38) NPC1RAB9AMAOBMAOATHRA
SCHEMBL5834826 0.89 FFAR4 (0.34) NPC1RAB9AMAOBMAOAACHE
SCHEMBL16182319 0.88 FFAR1 (0.39) THRATHRBRXRARXRBRXRG
SCHEMBL13714980 0.84 ALDH1A1 (0.40) NPC1RAB9AMAOBMAOAACHE
SCHEMBL7692453 0.83 NPC1 (0.38) NPC1RAB9AMAOBMAOAACHE
SCHEMBL13714983 0.82 NPC1 (0.35) NPC1RAB9AMAOBMAOAACHE
SCHEMBL100766 0.81 MAOB (0.45) NPC1RAB9AMAOBMAOAACHE
SCHEMBL29768287 0.81 MAOB (0.45) NPC1RAB9AMAOBMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074906-B2 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-07-11 US disclosed
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORP. 2005-03-10 US 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
EP-1451254-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS Ciba SC Holding AG (CH) 2004-09-01 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
WO-2003048257-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-12 WO disclosed
US-6566507-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1305298-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORP. 2002-03-21 US disclosed
WO-2002012202-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-02-14 WO disclosed
EP-1144391-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES Ciba SC Holding AG (CH) 2001-10-17 EP disclosed
WO-2000043376-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-27 WO disclosed
US-6040455-A REACTING A HALOBENZOTRIAZOLE COMPOUND WITH ALIPHATIC, PHENYLALKYL OR ARYL MERCAPTAN COMPOUND TO FORM 5-THIO SUBSTITUTED BENZOTRIAZOLE, OXIDIZING WITH HYDROGEN PEROXIDE TO FOR 5-SULFONE SUBSTITUED BENZOTRIAZOLE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-21 US 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 (4 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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH NPC1 1521/4885RAB9A 4678/4885PTGFR 1969/4885
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 NPC1 652/4885RAB9A 4526/4885PTGFR 2228/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH NPC1 1521/4885RAB9A 4678/4885PTGFR 1969/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH NPC1 1521/4885RAB9A 4678/4885PTGFR 1969/4885

“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.