SCHEMBL3461221

SCHEMBL3461221

CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2cc3c4cc(Br)ccc4n(C(=O)OC(C)(C)C)c3c(OCCCCCBr)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
NR1H2 P55055 4/20 0.35
IDO1 P14902 2/20 0.34
KRAS P01116 4/20 0.33
CNR2 P34972 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL3461451 0.99 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3460696 0.96 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3460260 0.89 GABRG2 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3461459 0.84 GABRG2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920153 0.84 GABRG2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920584 0.84 CDK1 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3200237 0.82 CDK1 (0.46) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3460436 0.81 GABRG2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3459885 0.81 GABRG2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920073 0.80 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3

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 CCNB2 903/4885CDK1 1244/4885CCNB1 1430/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 CCNB2 903/4885CDK1 1244/4885CCNB1 1430/4885

“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.