SCHEMBL13545968

SCHEMBL13545968

COC(=O)c1sc([N+](=O)[O-])cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
COMT P21964 1/20 0.40
MAPT P10636 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
SLC10A6 Q3KNW5 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
RAF1 P04049 1/20 0.36
MAPK1 P28482 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
SCHEMBL13545967 0.80 ALDH1A1 (0.45) ALDH1A1LMNACOMTMAPTKMT2A
Hydrochloric Acid SCHEMBL10731665 0.79 MAPT (0.47) ALDH1A1LMNACOMTMAPTKMT2A
SCHEMBL2978000 0.78 COMT (0.49) ALDH1A1LMNACOMTMAPTKMT2A
SCHEMBL14390861 0.76 RAF1 (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2729001 0.76 GSK3B (0.43) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL13545972 0.75 RAF1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL21152318 0.75 IKBKB (0.42) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL14568616 0.75 ALDH1A1 (0.41) ALDH1A1LMNACOMTMAPTKMT2A
SCHEMBL10746173 0.73 ALDH1A1 (0.53) ALDH1A1LMNACOMTMAPTKMT2A
SCHEMBL161941 0.73 L3MBTL1 (0.60) MAPTL3MBTL1RAF1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ALDH1A1 1001/4885LMNA 1818/4885COMT 710/4885

“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.