SCHEMBL616401

SCHEMBL616401

CC(C(N)=O)(c1ccccc1)C(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNN4 O15554 2/20 0.39
ALOX5 P09917 1/20 0.39
EPHX1 P07099 5/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL4560696 0.81 MAPT (0.53) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL3847248 0.81 MAPT (0.53) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL616622 0.81 MAPT (0.53) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL615873 0.79 KMT2A (0.52) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL5053650 0.78 MAPT (0.59) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL4559945 0.77 MAPT (0.49) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL618739 0.77 KMT2A (0.49) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL616297 0.77 MAPT (0.49) MAPTKMT2ACYP2D6KCNH2KDM4E
SCHEMBL1818250 0.76 MAPT (0.47) MAPTKMT2ACYP2D6LMNACHRM3
SCHEMBL18493201 0.74 MAPT (0.53) MAPTKMT2ACYP2D6LMNACHRM3

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 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 589/4885KMT2A 3504/4885CYP2D6 3614/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885

“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.