Sugi Predict

Sugi Predict / Compounds / SCHEMBL6862449

SCHEMBL6862449

SCHEMBL6862449

COc1ccc(C(C)(C)c2cc(N=Nc3cc(Cl)ccc3[N+](=O)[O-])c(O)c(C(C)(C)c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ LMNA P02545 5/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALPG P10696 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33

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
SCHEMBL6862445 1.00 MAPT (0.39) MAPTLMNAGPR35HPGDALDH1A1
SCHEMBL6864247 0.92 GPR35 (0.44) MAPTLMNAGPR35MAPK1MEN1
SCHEMBL6864246 0.92 GPR35 (0.44) MAPTLMNAGPR35MAPK1MEN1
SCHEMBL6862903 0.87 GPR35 (0.37) MAPTLMNAGPR35ALDH1A1MAPK1
SCHEMBL6862899 0.87 GPR35 (0.37) MAPTLMNAGPR35ALDH1A1MAPK1
SCHEMBL6862477 0.84 MAPT (0.43) MAPTLMNAGPR35HPGDALDH1A1
SCHEMBL6862475 0.84 MAPT (0.43) MAPTLMNAGPR35HPGDALDH1A1
SCHEMBL6861280 0.82 NPC1 (0.40) MAPTLMNAGPR35HPGDALDH1A1
SCHEMBL6861279 0.82 NPC1 (0.40) MAPTLMNAGPR35HPGDALDH1A1
SCHEMBL9866027 0.80 KMT2A (0.40) MAPTLMNAGPR35ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 — — US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 — — EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 — — US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 — — US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING 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 (1 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 MAPT 119/4885LMNA 2979/4885GPR35 2057/4885

“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.