SCHEMBL9926973

SCHEMBL9926973

CC(=O)Nc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
KMT2A Q03164 10/20 0.72
MEN1 O00255 8/20 0.72
ALDH1A1 P00352 3/20 0.68
POLB P06746 2/20 0.68
HSP90AA1 P07900 1/20 0.68
GAA P10253 2/20 0.66
ATM Q13315 1/20 0.62
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 3/20 0.60
LMNA P02545 3/20 0.60
RAB9A P51151 2/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MYOC Q99972 1/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58

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
SCHEMBL9367406 0.89 KMT2A (0.77) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL16922176 0.88 KMT2A (0.81) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL642700 0.88 KMT2A (0.81) MAPTKMT2AMEN1ALDH1A1POLB
Phosphine SCHEMBL28320532 0.87 KMT2A (0.78) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3037119 0.87 HTR2A (0.68) MAPTKMT2AMEN1ALDH1A1POLB
Acetic Acid SCHEMBL28965272 0.85 GAA (0.62) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL26374 0.85 GAA (0.65) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL14808444 0.85 KMT2A (1.00) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13350950 0.84 GAA (0.54) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL16270980 0.84 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024055-B2 Acetaminophen conjugates, compositions and methods of use thereof ACORDA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-9024055-B2 Acetaminophen conjugates, compositions and methods of use thereof ACORDA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20140243407-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF ACCORDA THERAPEUTICS, INC. (US) 2014-08-28 US disclosed
US-20140243407-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF ACCORDA THERAPEUTICS, INC. (US) 2014-08-28 US disclosed
EP-2758133-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF Acorda Therapeutics, Inc. (US) 2014-07-30 EP disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 US disclosed
US-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-10 US disclosed
US-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-10 US disclosed
US-8466197-B2 Thiocarbonates as anti-inflammatory and antioxidant compounds useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-06-18 US disclosed
US-8466197-B2 Thiocarbonates as anti-inflammatory and antioxidant compounds useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-06-18 US disclosed
WO-2013044064-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF NEUROGESX, INC. (US) 2013-03-28 WO disclosed
WO-2013044064-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF NEUROGESX, INC. (US) 2013-03-28 WO disclosed
WO-2012080371-A1 NEW THIOCARBONATES AS ANTI-INFLAMMATORY AND ANTIOXIDANT COMPOUNDS USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2012-06-21 WO disclosed
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2012-06-14 US disclosed
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2012-06-14 US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 MAPT 3367/4885KMT2A 3962/4885MEN1 2842/4885
US-20140243407-A1 ACETAMINOPHEN CONJUGATES, COMPOSITIONS AND METHODS OF USE THEREOF UGT1A1, UGT1A3, GSTA1 MAPT 1039/4885KMT2A 2908/4885MEN1 4562/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 MAPT 3367/4885KMT2A 3962/4885MEN1 2842/4885
US-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 MAPT 1844/4885KMT2A 4274/4885MEN1 4753/4885
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 MAPT 1844/4885KMT2A 4274/4885MEN1 4753/4885

“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.