SCHEMBL360340

SCHEMBL360340

O=C(O)C(Nc1cccc(F)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MMP2 P08253 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
GFER P55789 1/20 0.46
TEAD4 Q15561 1/20 0.45

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 1.00 MTOR (0.54) MTORKDM4ENPC1RAB9AMMP2
Hydrochloric Acid SCHEMBL1695936 0.98 MTOR (0.52) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL2484988 0.94 MMP2 (0.51) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL13240784 0.94 MMP2 (0.51) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL1695578 0.92 MMP2 (0.50) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL13240844 0.92 MMP2 (0.50) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL9298117 0.90 MTOR (0.50) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL2485894 0.90 MTOR (0.50) MTORKDM4ENPC1RAB9AMMP2
Hydrochloric Acid SCHEMBL1695967 0.89 MTOR (0.49) MTORKDM4ENPC1RAB9AMMP2
SCHEMBL2485378 0.87 MEN1 (0.45) MTORKDM4ENPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
EP-2804850-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-29 EP disclosed
US-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-10-20 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20150087600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2015-03-26 US disclosed
EP-2804850-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-11-26 EP 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
WO-2013107405-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 WO disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO 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
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 (5 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-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MTOR 3117/4885KDM4E 446/4885NPC1 2579/4885
US-20150087600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MTOR 3117/4885KDM4E 446/4885NPC1 2579/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MTOR 3621/4885KDM4E 669/4885NPC1 2594/4885
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM5, CHRM2 MTOR 1431/4885KDM4E 1005/4885NPC1 3422/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MTOR 3621/4885KDM4E 669/4885NPC1 2594/4885

“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.