SCHEMBL5834727

SCHEMBL5834727

Oc1cc(-c2ccccc2)ccc1-n1nc2ccc(F)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
DHODH Q02127 8/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
STAT1 P42224 1/20 0.38
KMT2A Q03164 1/20 0.38
HNF4A P41235 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5834566 0.83 ALOX5 (0.41) ALOX5NPC1RAB9ALMNAESR2
SCHEMBL7786916 0.83 ALOX5 (0.41) ALOX5NPC1RAB9ALMNAESR2
SCHEMBL5834239 0.83 NPC1 (0.43) ALOX5DHODHNPC1RAB9ALMNA
SCHEMBL11374684 0.83 ESR2 (0.44) ALOX5NPC1RAB9ALMNAESR2
SCHEMBL7783973 0.81 AMY1A (0.42) NPC1RAB9ALMNAESR2KDM4E
SCHEMBL29602456 0.81 AMY1A (0.42) NPC1RAB9ALMNAESR2KDM4E
SCHEMBL28751272 0.75 NPC1 (0.52) DHODHNPC1RAB9ALMNAKDM4E
SCHEMBL1703200 0.74 LMNA (0.63) ALOX5NPC1RAB9ALMNAESR2
SCHEMBL24454406 0.73 NPC1 (0.40) ALOX5NPC1RAB9ALMNAESR2
SCHEMBL27491075 0.72 NPC1 (0.56) ALOX5NPC1RAB9ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100341859-C Organic solvent-free preparation method of 2- (2-nitrophenylazo) phenols CIBA SC HOLDING AG (CH) 2007-10-10 CN disclosed
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
CN-1599777-A Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SC HOLDING AG (CH) 2005-03-23 CN 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

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 ALOX5 1960/4885DHODH 220/4885NPC1 1521/4885
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 ALOX5 1512/4885DHODH 207/4885NPC1 652/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ALOX5 1960/4885DHODH 220/4885NPC1 1521/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ALOX5 1960/4885DHODH 220/4885NPC1 1521/4885

“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.