SCHEMBL616400

SCHEMBL616400

CN(C(=O)CCc1ccccc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MLYCD O95822 1/20 0.49
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KEAP1 Q14145 1/20 0.46
P2RX7 Q99572 1/20 0.46
OPRM1 P35372 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 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
SCHEMBL1818248 0.91 ALOX5 (0.55) KMT2AALDH1A1ALOX5OPRM1MAOB
SCHEMBL616621 0.84 KMT2A (0.58) KMT2AMLYCDMEN1L3MBTL1HTT
SCHEMBL616296 0.84 KMT2A (0.58) KMT2AMLYCDMEN1L3MBTL1HTT
SCHEMBL615872 0.81 KMT2A (0.55) KMT2AMLYCDMEN1L3MBTL1HTT
SCHEMBL10273891 0.79 KMT2A (0.53) KMT2AMLYCDMEN1L3MBTL1HTT
SCHEMBL618738 0.79 KMT2A (0.53) KMT2AMLYCDMEN1L3MBTL1HTT
SCHEMBL23723541 0.78 ALDH1A1 (0.44) KMT2AMEN1HTTALDH1A1NPC1
SCHEMBL11326229 0.78 GPBAR1 (0.43) HTTALDH1A1
SCHEMBL30120720 0.78 ALDH1A1 (0.44) KMT2AMEN1HTTALDH1A1NPC1
SCHEMBL4064688 0.78 MLYCD (0.67) KMT2AMLYCDMEN1L3MBTL1HTT

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 3433/4885MLYCD 96/4885MEN1 4113/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MLYCD 96/4885MEN1 4113/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3504/4885MLYCD 117/4885MEN1 4050/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KMT2A 3433/4885MLYCD 96/4885MEN1 4113/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MLYCD 96/4885MEN1 4113/4885

“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.