Sugi Predict

Sugi Predict / Compounds / SCHEMBL3460436

SCHEMBL3460436

SCHEMBL3460436

CC(C)(C)OC(=O)n1c2ccc(Cl)cc2c2cc3c4cc(Cl)ccc4n(C(=O)OC(C)(C)C)c3c(OCCBr)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA1 P14867 2/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ NR1H2 P55055 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL3461459 0.95 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3459885 0.87 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3460696 0.83 CCNB2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3461451 0.82 CCNB2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL1920153 0.82 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL1920049 0.81 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3461221 0.81 CCNB2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3460260 0.80 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3461698 0.75 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL1920584 0.75 CDK1 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2

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
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 — — EP disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 — — US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 — — US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 — — US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 — — 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 (2 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-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 GABRG2 4531/4885GABRB3 2455/4885GABRA5 3691/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 GABRG2 4531/4885GABRB3 2455/4885GABRA5 3691/4885

“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.