SCHEMBL2248371

SCHEMBL2248371

C[C@@H]1CN(c2ccc3c(c2)OCO3)CCN1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KHK P50053 2/20 0.45
CMA1 P23946 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCL2A1 Q16548 2/20 0.41
CHRM3 P20309 3/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
BRD9 Q9H8M2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL5271800 1.00 MAPT (0.46) MAPTKHKCMA1POLBHSD17B10
SCHEMBL15065845 0.79 MAPT (0.48) MAPTHSD17B10CHRM3ALDH1A1HPGD
SCHEMBL15069112 0.79 MAPT (0.48) MAPTHSD17B10CHRM3ALDH1A1HPGD
SCHEMBL8271862 0.79 CHEK1 (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL2252356 0.79 CHEK1 (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL2249128 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL5276757 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL254552 0.78 ADRB1 (0.51) MAPTCMA1POLBHSD17B10ALDH1A1
SCHEMBL21011045 0.78 MAPT (0.38) MAPTKHKHSD17B10BCL2A1CHRM3
SCHEMBL15086314 0.77 CHRM3 (0.35) MAPTKHKBCL2A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US claimed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN claimed
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD MAPT 2854/4885KHK 2364/4885CMA1 929/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD MAPT 2896/4885KHK 2324/4885CMA1 878/4885

“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.