SCHEMBL616296

SCHEMBL616296

CN(C)c1ccccc1N(C)C(=O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
ALOX5 P09917 3/20 0.53
MLYCD O95822 1/20 0.51
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.46
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL616621 0.87 KMT2A (0.58) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL615872 0.84 KMT2A (0.55) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL616400 0.84 KMT2A (0.55) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL10273891 0.81 KMT2A (0.53) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL618738 0.81 KMT2A (0.53) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL4064688 0.81 MLYCD (0.67) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL3366949 0.78 KMT2A (0.70) KMT2AALOX5MLYCDMEN1L3MBTL1
SCHEMBL617936 0.77 KMT2A (0.48) KMT2AALOX5MLYCDALDH1A1KDM4E
Water SCHEMBL3678915 0.77 KMT2A (0.68) KMT2AALOX5MLYCDMEN1L3MBTL1
Hydrochloric Acid SCHEMBL3136984 0.77 KMT2A (0.68) KMT2AALOX5MLYCDMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US disclosed
US-10745390-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-08-18 US disclosed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US disclosed
US-9695157-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-07-04 US disclosed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US disclosed
US-9000009-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-04-07 US disclosed
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 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 (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-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885ALOX5 1414/4885MLYCD 96/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885ALOX5 1414/4885MLYCD 96/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3504/4885ALOX5 1600/4885MLYCD 117/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KMT2A 3433/4885ALOX5 1414/4885MLYCD 96/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885ALOX5 1414/4885MLYCD 96/4885

“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.