SCHEMBL3020221

SCHEMBL3020221

C=CCOc1cc(Br)cnc1/C=C\C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LIG1 P18858 1/20 0.31
HSD17B10 Q99714 1/20 0.30
FLT3 P36888 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL3020225 1.00 MEN1 (0.41) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL17865350 0.72 DYRK1A (0.31) HTTKMT2A
SCHEMBL16303855 0.70 S1PR1 (0.35) HTTKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL3025399 0.68 CNR2 (0.33) MEN1HTTKMT2ASMN1; SMN2HSD17B10
SCHEMBL3025395 0.68 CNR2 (0.33) MEN1HTTKMT2ASMN1; SMN2HSD17B10
SCHEMBL20643068 0.67 GAA (0.41) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL17865351 0.67
SCHEMBL21728084 0.66 HPGD (0.53) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL18009502 0.65 MAPK1 (0.38) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL24969043 0.65 ALDH1A1 (0.55) MEN1HTTKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MEN1 2498/4885HTT 3524/4885KMT2A 4027/4885

“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.