Sugi Predict

Sugi Predict / Compounds / SCHEMBL6864209

SCHEMBL6864209

SCHEMBL6864209

COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccc(OC)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL6860672 0.91 ALOX5 (0.40) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL7068865 0.86 GAA (0.47) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL31360 0.86 GAA (0.47) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL29350844 0.86 GAA (0.47) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL13546033 0.85 KDM4E (0.35) KDM4EPOLBGAAHTTALDH1A1
SCHEMBL5835062 0.84 KDM4E (0.42) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL7527995 0.84 KDM4E (0.41) KDM4EPOLBRAB9ANPC1GAA
SCHEMBL6862492 0.84 KDM4E (0.38) KDM4EPOLBGAACYP11B1CYP11B2
SCHEMBL7593809 0.82 MAOB (0.45) KDM4EPOLBGAAHTTALDH1A1
SCHEMBL13714980 0.81 ALDH1A1 (0.40) KDM4EPOLBRAB9ANPC1GAA

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 KDM4E 343/4885POLB 1012/4885RAB9A 4479/4885

“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.