SCHEMBL1696129

SCHEMBL1696129

COC(=O)c1ccccc1NC(C(=O)O)c1ccc(OC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KCNK3 O14649 2/20 0.45
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ATM Q13315 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
CHRNA7 P36544 1/20 0.43
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
MAPK10 P53779 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 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
SCHEMBL16476747 1.00 KMT2A (0.46) KMT2AMEN1KCNK3ALDH1A1POLB
SCHEMBL16476684 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1696116 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL13240792 0.82 KDM4E (0.56) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL12073631 0.79 L3MBTL1 (0.45) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1696056 0.79 L3MBTL1 (0.45) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1696222 0.77 CHRM3 (0.43) ATMCHRNA7GAA
SCHEMBL16476746 0.77 CHRM3 (0.43) ATMCHRNA7GAA
SCHEMBL16476740 0.74 KMT2A (0.45) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1696316 0.74 KMT2A (0.45) KMT2AMEN1ALDH1A1POLBMAPT

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
EP-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
CN-102947298-A Alkaloid aminoester derivatives and pharmaceutical compositions thereof CHIESI FARMA SPA 2013-02-27 CN disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 KMT2A 869/4885MEN1 2439/4885KCNK3 522/4885

“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.