SCHEMBL2485602

SCHEMBL2485602

O=C(O)C(NCc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
ULK1 O75385 1/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HAT1 O14929 1/20 0.46
EP300 Q09472 1/20 0.46
LMNA P02545 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL16664378 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AULK1CYP2C19KMT2A
Hydrochloric Acid SCHEMBL2484892 0.98 ALDH1A1 (0.49) ALDH1A1RAB9AULK1CYP2C19KMT2A
SCHEMBL5224347 0.94 CNR2 (0.51) ALDH1A1RAB9ACYP2C19KMT2ACYP3A4
SCHEMBL4427598 0.94 CNR2 (0.51) ALDH1A1RAB9ACYP2C19KMT2ACYP3A4
SCHEMBL1696017 0.88 MEN1 (0.59) KMT2AMEN1CYP1A2
SCHEMBL19248981 0.88 MEN1 (0.59) KMT2AMEN1CYP1A2
SCHEMBL27827175 0.88 MEN1 (0.59) KMT2AMEN1CYP1A2
SCHEMBL6243334 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1LMNA
SCHEMBL2485050 0.84 SMN1; SMN2 (0.59) RAB9AKMT2AMEN1NPC1HAT1
SCHEMBL11350168 0.84 CYP1A2 (0.56) ALDH1A1CYP2C19KMT2ACYP2D6MEN1

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 21 patents — showing the first 20. 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
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN 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-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 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
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 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 (2 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 ALDH1A1 2693/4885RAB9A 1349/4885ULK1 2434/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG ALDH1A1 2693/4885RAB9A 1349/4885ULK1 2434/4885

“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.