SCHEMBL1283095

SCHEMBL1283095

CCOC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.45
PDE4A P27815 1/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ADORA2A P29274 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL13633524 0.78 GAA (0.54) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL1282454 0.77 GAA (0.53) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL1283036 0.77 GAA (0.53) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL13633460 0.76 GAA (0.51) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL1283106 0.75 LRRK2 (0.35) GAAKDM4EALDH1A1ADORA2A
SCHEMBL13633525 0.75 GAA (0.51) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL1283019 0.74
SCHEMBL13633555 0.74 GAA (0.50) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL70084 0.73 KDM4E (0.57) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL13633523 0.72 GAA (0.48) GAAKDM4EALDH1A1HPGDPOLB

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-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
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 GAA 171/4885KDM4E 3529/4885ALDH1A1 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.