SCHEMBL949227

SCHEMBL949227

COc1ccc2c(c1)C(C)(O)C(=O)N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
KYAT1 Q16773 1/20 0.40

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
SCHEMBL28250120 0.84 MAPT (0.60) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL31294847 0.81 MAPT (0.49) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL28502116 0.81 NQO2 (0.51) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL31389177 0.81 NQO2 (0.48) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL30972507 0.80 NQO2 (0.53) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL19501891 0.79 POLB (0.40) NQO2MAPTPOLBMEN1KMT2A
SCHEMBL16748719 0.79 PKM (0.57) ALDH1A1TSHRMAPTPOLBLMNA
SCHEMBL12083114 0.79 NQO2 (0.49) NQO2ALDH1A1TSHRLMNAKDM4E
SCHEMBL30829011 0.78 OPRM1 (0.52) NQO2ALDH1A1TSHRMAPTPOLB
SCHEMBL15538135 0.78 PKM (0.39) ALDH1A1MAPTPOLBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691864-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof HORIZON THERAPEUTICS USA, INC. (SUCCESSOR IN INTEREST TO RAPTOR PHARMACEUTICAL CORP.) 2014-04-08 US disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-8258172-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof RAPTOR PHARMACEUTICAL CORP (US) 2012-09-04 US disclosed
US-20110021594-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof Raptor Pharmaceutical Corp. 2011-01-27 US disclosed
US-7786162-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof Raptor Pharmaceutical Corp. (US) 2010-08-31 US disclosed
US-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof TORREYPINES THERAPEUTICS (US) 2009-05-21 US disclosed
US-7153882-B2 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-12-26 US disclosed
US-20060270729-A1 Agents useful for reducing amylioid precursor protein and treating dementia and methods of use thereof GREIG NIGEL H 2006-11-30 US disclosed
US-20040138282-A1 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof HORIZON THERAPEUTICS USA, INC. (SUCCESSOR IN INTEREST TO RAPTOR PHARMACEUTICAL CORP.) 2004-07-15 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 (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-20110021594-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 NQO2 948/4885ALDH1A1 2149/4885TSHR 4621/4885
US-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 NQO2 948/4885ALDH1A1 2149/4885TSHR 4621/4885
US-20060270729-A1 Agents useful for reducing amylioid precursor protein and treating dementia and methods of use thereof IAPP, APP, BACE1 NQO2 1909/4885ALDH1A1 3669/4885TSHR 4509/4885
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 NQO2 948/4885ALDH1A1 2149/4885TSHR 4621/4885
US-20040138282-A1 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof APP, BACE1, CTH NQO2 778/4885ALDH1A1 2057/4885TSHR 2236/4885

“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.