SCHEMBL2485378

SCHEMBL2485378

O=C(O)C(Nc1cc(F)cc(F)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MDM2 Q00987 3/20 0.45
EGFR P00533 1/20 0.43
MTOR P42345 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FPR2 P25090 1/20 0.42
EEF2K O00418 1/20 0.41
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL15334573 0.87 MTOR (0.54) MEN1KMT2AMTORKDM4ENPC1
SCHEMBL360340 0.87 MTOR (0.54) MEN1KMT2AMTORKDM4ENPC1
Hydrochloric Acid SCHEMBL1695936 0.85 MTOR (0.52) MEN1KMT2AMTORKDM4ENPC1
SCHEMBL2483340 0.84 NPC1 (0.47) MEN1KMT2AKDM4EFPR2CYP2D6
SCHEMBL1696032 0.84 NPC1 (0.47) MEN1KMT2AKDM4EFPR2CYP2D6
Hydrochloric Acid SCHEMBL1696010 0.83 NPC1 (0.46) MEN1KMT2AKDM4EFPR2CYP2D6
SCHEMBL2483521 0.81 FPR2 (0.49) KDM4EFPR2CYP2D6SRCLMNA
SCHEMBL2483519 0.81 FPR2 (0.49) KDM4EFPR2CYP2D6SRCLMNA
SCHEMBL146704 0.81 FPR2 (0.49) KDM4EFPR2CYP2D6SRCLMNA
SCHEMBL2485183 0.81 MEN1 (0.46) MEN1KMT2AKDM4ENPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN claimed
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-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-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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 MEN1 4121/4885KMT2A 1874/4885MDM2 3236/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MEN1 4121/4885KMT2A 1874/4885MDM2 3236/4885

“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.