SCHEMBL1281969

SCHEMBL1281969

C=CCC1(C(=O)OCC)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 6/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
LIMK2 P53671 1/20 0.33
DGAT1 O75907 1/20 0.33
RET P07949 1/20 0.33
KDM4E B2RXH2 1/20 0.33
UCHL1 P09936 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
SCHEMBL1282575 0.89 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1292351 0.87 LIMK2 (0.35) MEN1KMT2APOLBLIMK2DGAT1
SCHEMBL1281878 0.84 DGAT1 (0.39) ALDH1A1LMNAPOLBOPRM1OPRD1
SCHEMBL15579197 0.83 DGAT1 (0.38) POLBOPRM1OPRD1DGAT1KDM4E
SCHEMBL1282143 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1292674 0.78 RIPK1 (0.38) MEN1KMT2APOLBDGAT1
SCHEMBL20553309 0.77 OGA (0.48) MEN1KMT2APOLBDGAT1KDM4E
SCHEMBL1844415 0.75 PTPN11 (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15416282 0.74 DGAT1 (0.41) MEN1KMT2ADGAT1KDM4E
SCHEMBL25455655 0.73 DGAT1 (0.37) KMT2APOLBDGAT1KDM4EUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS MEN1 3233/4885KMT2A 4333/4885ALDH1A1 2614/4885

“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.