SCHEMBL359708

SCHEMBL359708

O=C(O)COCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 1/20 0.54
PARP10 Q53GL7 1/20 0.50
PTPRA P18433 1/20 0.49
GRM5 P41594 1/20 0.47
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SYK P43405 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL741038 0.84 PARP10 (0.56) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL9719810 0.81 RAB9A (0.65) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL493397 0.80 HRH1 (0.52) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL18997786 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL740907 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL19212962 0.79 KMT2A (0.49) LMNAALOX15KMT2AKDM4EALDH1A1
SCHEMBL7189404 0.79 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAPARP10
Hydrochloric Acid SCHEMBL27710379 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL11377704 0.78 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL8228259 0.78 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ALMNAPARP10

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 30 patents — showing the first 20. 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
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US 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
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-6518285-B2 4-oxo-5-oxazolidineylmethyl derivatives; antibacterials which are active against numerous multidrug-resistant gram positive organisms ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-02-11 US disclosed
EP-1246810-A1 PIPERIDINYLOXY AND PYRROLIDINYLOXYPHENYL OXAZOLIDINONES AS ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-09 EP disclosed
US-20020103377-A1 Piperidinyloxy and pyrrolidinyloxy oxazolidinone antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-01 US disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
WO-2002030897-A2 COMPOSITIONS AND METHODS FOR REGULATING THE NERVOUS SYSTEM FILLION GILLES (FR) 2002-04-18 WO disclosed
EP-1173455-A2 NOVEL RIBOSE-SUBSTITUTED AROMATIC AMIDES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma S.A. (FR) 2002-01-23 EP disclosed
WO-2001046164-A1 PIPERIDINYLOXY AND PYRROLIDINYLOXYPHENYL OXAZOLIDINONES AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-06-28 WO disclosed
WO-2000063222-A2 NOVEL RIBOSE-SUBSTITUTED AROMATIC AMIDES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2000-10-26 WO disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SMN1; SMN2 166/4885NPC1 2594/4885RAB9A 1278/4885
US-20020103377-A1 Piperidinyloxy and pyrrolidinyloxy oxazolidinone antibacterials OXA1L, RPS27L, RPS27 SMN1; SMN2 3906/4885NPC1 2994/4885RAB9A 831/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SMN1; SMN2 166/4885NPC1 2594/4885RAB9A 1278/4885

“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.