SCHEMBL795616

SCHEMBL795616

COc1ccc(C(=O)C(Cc2ccc(OC)s2)C(C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
EDNRA P25101 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
BLM P54132 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6313619 0.76 L3MBTL1 (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6313646 0.72 EDNRA (0.56) EDNRA
SCHEMBL6313651 0.72 EDNRA (0.56) EDNRA
SCHEMBL7842966 0.68 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL795153 0.63 ALDH1A1 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL795867 0.62 KDM4E (0.54) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19478533 0.61 KMT2A (0.57) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28883199 0.61 ALDH1A1 (0.66) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4199151 0.61 MEN1 (0.57) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13689270 0.60 NPC1 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828368-B2 Therapeutic treatments using centhaquin MIDWESTERN UNIVERSITY (US) 2020-11-10 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 EP disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 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 (7 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-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 MAPT 2655/4885MEN1 3680/4885KMT2A 2627/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 MAPT 2958/4885MEN1 4455/4885KMT2A 4264/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 MAPT 4604/4885MEN1 308/4885KMT2A 4182/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 MAPT 3078/4885MEN1 1456/4885KMT2A 4769/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT MAPT 21/4885MEN1 1564/4885KMT2A 3240/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT MAPT 21/4885MEN1 1564/4885KMT2A 3240/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 MAPT 2875/4885MEN1 4170/4885KMT2A 2749/4885

“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.