SCHEMBL5834029

SCHEMBL5834029

CC(C)(C)c1cc(-n2nc3ccc(F)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGS1 P23219 1/20 0.38
TP53 P04637 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX5 P09917 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7901469 0.88 NPC1 (0.36) PTGS2TP53NPC1RAB9AALOX5
SCHEMBL712969 0.88 NPC1 (0.38) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL29706577 0.88 NPC1 (0.38) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL30793040 0.87 NPC1 (0.47) PTGS2PTGS1TP53NPC1RAB9A
SCHEMBL22080465 0.86 NPC1 (0.37) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL9266071 0.86 HSP90AA1 (0.38) PTGS2PTGS1TP53NPC1RAB9A
SCHEMBL24236676 0.86 NPC1 (0.35) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL768944 0.86 KDM4E (0.38) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL29358804 0.86 KDM4E (0.38) PTGS2NPC1RAB9AHSP90AA1ALOX5
SCHEMBL24236672 0.85 NPC1 (0.36) PTGS2NPC1RAB9AHSP90AA1ALOX5

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-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
CN-1444568-A Processes for preparation of benzotriazole UV absorbers CIBA SC HOLDING AG (CH) 2003-09-24 CN 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
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
US-5410071-A Sulfiding with a thiophenolic compound or a thiophenolate in a polar solvent to form a stabilizers for polyphenylene sulfide against UV radiation PHILLIPS PETROLEUM COMPANY (US) 1995-04-25 US disclosed
US-5319091-A Contacting sulfur-containing aromatic compound with hydroxyphenylbenzotriazole derivative in presence of polar organic compound, oxidizing formed aryl sulfide derivative to sulfone, sulfoxide or mixtures PHILLIPS PETROLEUM COMPANY (US) 1994-06-07 US disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 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 PTGS2 1716/4885PTGS1 1790/4885TP53 2543/4885
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 PTGS2 262/4885PTGS1 517/4885TP53 847/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH PTGS2 1716/4885PTGS1 1790/4885TP53 2543/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH PTGS2 1716/4885PTGS1 1790/4885TP53 2543/4885

“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.