SCHEMBL2133733

SCHEMBL2133733

CCCCCC(=O)N1CCOC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DRD3 P35462 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FKBP1A P62942 1/20 0.40
NAAA Q02083 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 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
SCHEMBL2137111 0.96 USP30 (0.47) USP30MEN1KMT2AMAPTLMNA
SCHEMBL2133873 0.91 USP30 (0.49) USP30MEN1KMT2AMAPTLMNA
SCHEMBL14035660 0.85 USP30 (0.51) USP30MEN1KMT2ALMNAALDH1A1
SCHEMBL25517300 0.84 GLA (0.53) USP30MEN1KMT2AMAPTLMNA
SCHEMBL2131359 0.82 FKBP1A (0.62) USP30MEN1KMT2AMAPTHPGD
SCHEMBL2133360 0.81 MAPT (0.65) KMT2AMAPTLMNAHPGDALDH1A1
SCHEMBL2132316 0.80 USP30 (0.48) USP30MEN1KMT2ALMNAALDH1A1
SCHEMBL2133807 0.80 USP30 (0.51) USP30MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2133127 0.79 PDE4B (0.41) USP30SMN1; SMN2DRD3
SCHEMBL25453440 0.78 USP30 (0.54) USP30MEN1KMT2APOLBDRD3

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 3636/4885MEN1 971/4885KMT2A 1479/4885

“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.