SCHEMBL5184540

SCHEMBL5184540

COC(=O)CCc1cc(/N=N/c2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ GAA P10253 5/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAOB P27338 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GALR3 O60755 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL5184541 1.00 CES2 (0.42) CES2ACHECES1GAAKMT2A
SCHEMBL14418461 0.94 CES2 (0.41) CES2ACHECES1GAAKMT2A
SCHEMBL6860676 0.88 GAA (0.41) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6860674 0.88 GAA (0.41) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5186218 0.83 GAA (0.45) ACHEGAAKMT2AMEN1HTT
SCHEMBL14413578 0.83 GAA (0.45) ACHEGAAKMT2AMEN1HTT
SCHEMBL9520168 0.81 GAA (0.52) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL14418641 0.78 GAA (0.41) ACHEGAAKMT2AMEN1HTT
SCHEMBL9007271 0.77 NPC1 (0.44) CES2ACHECES1KMT2AMEN1
SCHEMBL9178108 0.77 NPC1 (0.44) CES2ACHECES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339700-B1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SC HOLDING AG (CH) 2007-11-21 — — EP disclosed
US-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 — — US disclosed
US-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 — — 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
US-20040019220-A1 Process for the preparation of benzotriazoles CIBA SPECIALTY CHEMICALS CORP. 2004-01-29 — — US 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

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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH CES2 1546/4885ACHE 3174/4885CES1 1296/4885
US-20070208165-A1 Process for the preparation of benzotriazoles CBR1, CCNT1, CYP1B1 CES2 1169/4885ACHE 415/4885CES1 2169/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH CES2 1546/4885ACHE 3174/4885CES1 1296/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH CES2 1546/4885ACHE 3174/4885CES1 1296/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 CES2 792/4885ACHE 964/4885CES1 1930/4885

“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.

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