SCHEMBL1282780

SCHEMBL1282780

COc1c(Br)cc2nc(N)sc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
NQO2 P16083 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
FTO Q9C0B1 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL13735781 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4CYP1A2CYP2C19NQO2
SCHEMBL18038426 0.77 CYP3A4 (0.50) SMN1; SMN2CYP3A4CYP1A2CYP2C19TSHR
SCHEMBL34471465 0.75 CYP3A4 (0.45) SMN1; SMN2CYP3A4CYP1A2CYP2C19NQO2
SCHEMBL25339259 0.75 CYP3A4 (0.45) SMN1; SMN2CYP3A4CYP1A2CYP2C19NQO2
SCHEMBL29682132 0.75 CYP3A4 (0.45) SMN1; SMN2CYP3A4CYP1A2CYP2C19NQO2
SCHEMBL10464582 0.73 ADORA1 (0.47) SMN1; SMN2CYP3A4CYP1A2CYP2C19TSHR
SCHEMBL4141913 0.73 CYP3A4 (0.43) SMN1; SMN2CYP3A4CA2CA4NQO2
SCHEMBL4128227 0.72 NSD1 (0.46) SMN1; SMN2CYP3A4CYP1A2CYP2C19CA2
SCHEMBL1292197 0.71 NCOA1 (0.36) SMN1; SMN2TSHRALDH1A1MAPTHSD17B10
SCHEMBL1282532 0.69 ABL1 (0.51) SMN1; SMN2PIK3CAPIK3CGRAB9A

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
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
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

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 SMN1; SMN2 4065/4885CYP3A4 363/4885CYP1A2 750/4885

“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.