SCHEMBL2485489

SCHEMBL2485489

CNC(=O)c1cccc(NC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SLC7A5 Q01650 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
SCN9A Q15858 1/20 0.43

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
SCHEMBL15334564 1.00 POLB (0.50) POLBHDAC8HDAC6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1695922 0.99 POLB (0.49) POLBHDAC8HDAC6ALDH1A1MAPT
SCHEMBL2993388 0.85 POLB (0.65) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL1695734 0.84 MAPT (0.50) POLBALDH1A1MAPTKDM4ESLC7A5
SCHEMBL12073927 0.84 MAPT (0.50) POLBALDH1A1MAPTKDM4ESLC7A5
SCHEMBL7574752 0.79 NPSR1 (0.53) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL13240836 0.79 MAPT (0.55) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL2486459 0.79 MAPT (0.55) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL21530814 0.78 HAT1 (0.61) KMT2AMEN1
SCHEMBL2483521 0.78 FPR2 (0.49) POLBALDH1A1MAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-8563577-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-22 US disclosed
US-8563577-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-22 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
WO-2011160919-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 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 (3 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG POLB 2249/4885HDAC8 4193/4885HDAC6 3674/4885
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM5, CHRM2 POLB 3594/4885HDAC8 3728/4885HDAC6 3344/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG POLB 2249/4885HDAC8 4193/4885HDAC6 3674/4885

“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.