SCHEMBL1700980

SCHEMBL1700980

CCc1cc(C(=O)CBr)cs1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.65
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
USP2 O75604 1/20 0.49
GAA P10253 4/20 0.48
GSK3B P49841 6/20 0.43
LMNA P02545 4/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PTPN1 P18031 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL352306 0.79 DAO (1.00) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10163846 0.77 DAO (0.69) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL1701349 0.77 DAO (0.69) DAORAB9ASMN1; SMN2MAPTL3MBTL1
Methane SCHEMBL28127314 0.77 DAO (0.96) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6196814 0.75 GSK3B (0.44) DAORAB9AMAPTL3MBTL1GSK3B
SCHEMBL20274867 0.74 DAO (0.65) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13814173 0.74 DAO (0.65) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL3659417 0.74 DAO (0.65) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL29256521 0.71 DAO (0.61) DAORAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL25184460 0.70 GSK3B (0.50) GSK3BLMNAALDH1A1PTPN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 DAO 178/4885RAB9A 1151/4885SMN1; SMN2 4078/4885

“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.