SCHEMBL795799

SCHEMBL795799

COCC(=O)N(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.58
MEN1 O00255 7/20 0.58
MLYCD O95822 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3060224 0.90 MLYCD (0.50) KMT2AMEN1MLYCDNPC1RAB9A
SCHEMBL9639949 0.83 KMT2A (0.56) KMT2AMEN1MLYCDKDM4EHTT
SCHEMBL9292204 0.82 KMT2A (0.57) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL3941842 0.81 PPIB (0.52) KMT2AMEN1MLYCDKDM4ESMN1; SMN2
SCHEMBL5696786 0.81 MLYCD (0.69) KMT2AMEN1MLYCDKDM4EHTT
SCHEMBL8568846 0.81 KMT2A (0.63) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL22048518 0.81 KMT2A (0.49) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL970622 0.81 HPGD (0.49) KMT2AMEN1MLYCDKDM4ESMN1; SMN2
SCHEMBL13074834 0.80 GRM5 (0.44) KMT2AMEN1KDM4ESMN1; SMN2NPC1
SCHEMBL1760632 0.79 KMT2A (0.58) KMT2AMEN1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP claimed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO claimed
US-10729703-B2 Withaferin compositions for prevention of aging INSILICO MEDICINE IP LIMITED (HK) 2020-08-04 US disclosed
US-20180125865-A1 WITHAFERIN COMPOSITIONS FOR PREVENTION OF AGING INSILICO MEDICINE IP LIMITED (HK) 2018-05-10 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 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-8410148-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-02 US disclosed
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis GULATI ANIL (US) 2012-03-22 US disclosed
US-7973064-B2 Administering to a mammal therapeutically effective amount of opiate analgesic and endothelin antagonist for therapy and prophylaxis of pain THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-07-05 US disclosed
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-09 US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis EDNRB, EGLN3, BDKRB2 KMT2A 3313/4885MEN1 3268/4885MLYCD 344/4885
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT KMT2A 3240/4885MEN1 1564/4885MLYCD 4116/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 KMT2A 4052/4885MEN1 2254/4885MLYCD 3403/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 KMT2A 4769/4885MEN1 1456/4885MLYCD 2018/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT KMT2A 3240/4885MEN1 1564/4885MLYCD 4116/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT KMT2A 3240/4885MEN1 1564/4885MLYCD 4116/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 KMT2A 2749/4885MEN1 4170/4885MLYCD 3212/4885
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 KMT2A 4264/4885MEN1 4455/4885MLYCD 4514/4885

“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.