SCHEMBL2133807

SCHEMBL2133807

CC(C)CC(=O)N1CCOC(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.51
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MOGAT2 Q3SYC2 1/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL14035660 0.85 USP30 (0.51) USP30KMT2AMEN1ALDH1A1POLB
SCHEMBL2133873 0.83 USP30 (0.49) USP30KMT2AMEN1ALDH1A1POLB
SCHEMBL25724290 0.83 USP30 (0.53) USP30KMT2AMEN1ALDH1A1MOGAT2
SCHEMBL25724291 0.83 USP30 (0.53) USP30KMT2AMEN1ALDH1A1MOGAT2
SCHEMBL21169302 0.82 USP30 (0.54) USP30KMT2AMEN1MOGAT2CNR2
SCHEMBL2132316 0.82 USP30 (0.48) USP30KMT2AMEN1ALDH1A1MOGAT2
SCHEMBL2137111 0.81 USP30 (0.47) USP30KMT2AMEN1ALDH1A1POLB
SCHEMBL25453440 0.80 USP30 (0.54) USP30KMT2AMEN1MOGAT2POLB
SCHEMBL19049384 0.80 USP30 (0.54) USP30KMT2AMEN1MOGAT2POLB
SCHEMBL4730362 0.80 USP30 (0.55) USP30KMT2AMEN1ALDH1A1MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 USP30 3636/4885KMT2A 1479/4885MEN1 971/4885

“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.