SCHEMBL6864904

SCHEMBL6864904

CC(C)(C)c1cc(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.38
KCNMA1 Q12791 1/20 0.38
HPD P32754 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
SCHEMBL6864900 1.00 MAPK1 (0.53) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL18593311 0.86 KMT2A (0.48) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL10416221 0.85 GPR35 (0.43) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL6870910 0.85 MEN1 (0.40) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL6870907 0.85 MEN1 (0.40) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL6865848 0.85 MEN1 (0.40) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL30200284 0.85 MEN1 (0.40) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL30200323 0.85 MEN1 (0.40) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL9007271 0.83 NPC1 (0.44) MAPK1ALDH1A1MEN1KMT2AGALR3
SCHEMBL9007267 0.83 NPC1 (0.44) MAPK1ALDH1A1MEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-6353113-B1 DIAZOTIZING THE PERFLUOROALKYL SUBSTITUTED O-NITROANILINE WITH SULFURIC ACID AND SODIUM NITRITE OR NITROSYLSULFURIC ACID TO FORM THE CORRESPONDING MONOAZOBENZENE INTERMEDIATE VIA THE DIAZONIUM SALT INTERMEDIATE WHICH IS THEN REDUCED CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 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 (3 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 MAPK1 3004/4885ALDH1A1 858/4885MAPT 1737/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPK1 3004/4885ALDH1A1 858/4885MAPT 1737/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPK1 3004/4885ALDH1A1 858/4885MAPT 1737/4885

“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.