SCHEMBL615873

SCHEMBL615873

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2D6 P10635 2/20 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
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 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) KMT2AMAPTCYP2C19HIF1ACYP2D6
SCHEMBL3847248 0.81 MAPT (0.53) KMT2AMAPTCYP2C19HIF1ACYP2D6
SCHEMBL616622 0.81 MAPT (0.53) KMT2AMAPTCYP2C19HIF1ACES2
SCHEMBL616401 0.79 MAPT (0.52) KMT2AMAPTCYP2C19HIF1ACYP2D6
SCHEMBL5053650 0.78 MAPT (0.59) KMT2AMAPTCYP2C19HIF1ACYP2D6
SCHEMBL616297 0.77 MAPT (0.49) KMT2AMAPTCYP2D6CYP1A2CNR1
SCHEMBL4559945 0.77 MAPT (0.49) KMT2AMAPTCYP2C19HIF1ACYP2D6
SCHEMBL618739 0.77 KMT2A (0.49) KMT2AMAPTCES1CYP2D6CYP1A2
SCHEMBL10782389 0.75 TRPA1 (0.41) KMT2AMAPTCYP2C19HIF1ACES2
SCHEMBL18493201 0.74 MAPT (0.53) KMT2AMAPTCYP2C19HIF1ACES1

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 3433/4885MAPT 564/4885CYP2C19 2889/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2C19 2889/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3504/4885MAPT 589/4885CYP2C19 2660/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2C19 2889/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2C19 2889/4885

“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.