SCHEMBL6868079

SCHEMBL6868079

CC(C)(C)CC(C)(C)c1cc(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNMA1 Q12791 1/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
MC4R P32245 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL6860822 1.00 MAPT (0.44) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL7524124 0.93 MAPT (0.44) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL10385275 0.92 GPR35 (0.41) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL10385273 0.92 GPR35 (0.41) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL6864712 0.89 ALDH1A1 (0.36) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL6864708 0.89 ALDH1A1 (0.36) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL29809621 0.88 CES2 (0.39) MAPTKMT2AMEN1CYP1A2HPGD
SCHEMBL5185716 0.88 CES2 (0.39) MAPTKMT2AMEN1CYP1A2HPGD
SCHEMBL5185713 0.88 CES2 (0.39) MAPTKMT2AMEN1CYP1A2HPGD
SCHEMBL6860982 0.88 KIF18A (0.37) MAPTALDH1A1GAAMAPK1KMT2A

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 8 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
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 MAPT 1737/4885ALDH1A1 858/4885GAA 3414/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPT 1737/4885ALDH1A1 858/4885GAA 3414/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPT 1737/4885ALDH1A1 858/4885GAA 3414/4885

“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.