Sugi Predict

Sugi Predict / Compounds / SCHEMBL5651093

SCHEMBL5651093

SCHEMBL5651093

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.33
▸ CNR2 P34972 8/20 0.33
▸ GPR18 Q14330 3/20 0.33
▸ GPR55 Q9Y2T6 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9008430 0.90 CES2 (0.39) CNR1CNR2GPR18GPR55CES2
SCHEMBL5643778 0.90 MEN1 (0.41) CNR1CNR2GPR18GPR55ALDH1A1
SCHEMBL10385274 0.89 GPR35 (0.39) CNR1CNR2GPR18GPR55GPR35
SCHEMBL6860826 0.89 MAPT (0.42) CNR1CNR2GPR18GPR55CES2
SCHEMBL6869888 0.87 ACLY (0.33) CES2ACHECES1GPR35ALDH1A1
SCHEMBL5651098 0.87 ACLY (0.33) CES2ACHECES1GPR35ALDH1A1
SCHEMBL11237715 0.83 CES2 (0.39) CNR1CNR2HSP90AA1CES2ACHE
SCHEMBL9177992 0.82 CES2 (0.39) CNR1CNR2GPR18GPR55CES2
SCHEMBL7524129 0.82 MAPT (0.42) CNR1CNR2GPR18GPR55CES2
SCHEMBL10557291 0.80 GPR35 (0.36) GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166659-B2 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 — — US disclosed
US-7148274-B2 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-12-12 — — US disclosed
EP-1337520-B1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS CIBA SC HOLDING AG (CH) 2004-12-15 — — EP disclosed
US-20040192927-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2004-09-30 — — US disclosed
US-20040157966-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2004-08-12 — — US disclosed
US-6774238-B2 REACTING 5-SUBSTITUTED BENZOTRIAZOLE WITH ARYLBORONIC ACID IN PRESENCE OF PALLADIUM CATALYST; DEHALOGENATION; ARYLATION CIBA SPECIALTY CHEMICALS CORPORATION 2004-08-10 — — US disclosed
US-20040092628-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparatiion thereof PASTOR STEPHEN D (US) 2004-05-13 — — US disclosed
US-6703510-B2 MORE STABLE AND DURABLE; AUTOMOTIVE COATINGS, CANDLE WAX CIBA SPECIALTY CHEMICALS CORPORATION 2004-03-09 — — US disclosed
US-20030213164-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof PASTOR STEPHEN D (US) 2003-11-20 — — US disclosed
US-6649770-B1 Exhibit superior hydrolytic stability, handling and storage stability as well as good resistance to extractability when present in stabilized composition CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-18 — — US disclosed
EP-1337520-A1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS Ciba SC Holding AG (CH) 2003-08-27 — — EP disclosed
WO-2002042281-A1 SUBSTITUTED 5-ARYL AND 5-HETEROARYL-2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE DERIVATIVES AS UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-30 — — WO disclosed
US-6387992-B1 HEAT, OXIDATION AND LIGHT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2002-05-14 — — 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 (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-20040192927-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof EBPL, DDT, AHR CNR1 2333/4885CNR2 1960/4885GPR18 2897/4885
US-20030213164-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2H-benzotriazole UV absorbers, compositions stabilized therewith and process for preparation thereof EBPL, DDT, AHR CNR1 2333/4885CNR2 1960/4885GPR18 2897/4885
US-20040092628-A1 Substituted 5-aryl-2-(2-hydroxyphenyl)-2h-benzotriazole UV absorbers, compositions stabilized therewith and process for preparatiion thereof AHR, PAH, CCNL2 CNR1 1751/4885CNR2 1562/4885GPR18 2705/4885

“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.