SCHEMBL2636596

SCHEMBL2636596

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44
KCNK2 O95069 1/20 0.44
ABCB11 O95342 1/20 0.44
GSR P00390 1/20 0.44
TP53 P04637 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
SCHEMBL6949727 1.00 KMT2A (0.49) KMT2AMEN1SMN1; SMN2TDP1L3MBTL1
SCHEMBL29383650 1.00 KMT2A (0.49) KMT2AMEN1SMN1; SMN2TDP1L3MBTL1
SCHEMBL29351076 0.95 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL744307 0.95 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL6956134 0.91 TDP1 (0.53) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL6956189 0.91 TDP1 (0.53) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL18157025 0.90 KMT2A (0.44) KMT2AMEN1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6949730 0.89 MAPT (0.44) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL17263514 0.87 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL29684128 0.87 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2TDP1L3MBTL1

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
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP claimed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO claimed
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds EMPIRIKO CORPORATION (US) 2019-04-23 US disclosed
US-9968574-B2 Treatment of MCI and Alzheimer's disease THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-05-15 US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 US disclosed
EP-2568811-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE The University Of Kentucky Research Foundation (US) 2013-03-20 EP disclosed
WO-2011142778-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-17 WO disclosed
WO-2010132671-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-18 WO disclosed
US-20100292281-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-18 US disclosed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1159007-A1 USE OF GALLIC ACID ESTERS TO INCREASE BIOAVAILABILITY OF ORALLY ADMINISTERED PHARMACEUTICAL COMPOUNDS Avmax, Inc. (US) 2001-12-05 EP disclosed
US-6180666-B1 Use of gallic acid esters to increase bioavailability of orally administered pharmaceutical compounds ANMAX, INC. 2001-01-30 US disclosed
WO-2000051643-A1 USE OF GALLIC ACID ESTERS TO INCREASE BIOAVAILABILITY OF ORALLY ADMINISTERED PHARMACEUTICAL COMPOUNDS AVMAX, INC. (US) 2000-09-08 WO disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 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 (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-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP3A43, CYP3A4, CYP2D6 KMT2A 4014/4885MEN1 2675/4885SMN1; SMN2 2313/4885
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds CYP3A43, CYP3A4, CYP2D6 KMT2A 4014/4885MEN1 2675/4885SMN1; SMN2 2313/4885
US-20100292281-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE CHAT, CHRM2, TPO KMT2A 2684/4885MEN1 1188/4885SMN1; SMN2 3153/4885

“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.