SCHEMBL616294

SCHEMBL616294

CN(C(=O)C(Cc1ccccc1)N(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL616619 0.81 HPGD (0.49) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL18325693 0.81 HPGD (0.66) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL756362 0.80 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL121728 0.80 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL121727 0.80 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL16669850 0.80 ALPI (0.58) ALDH1A1HPGDLMNAALPIPKM
SCHEMBL616398 0.80 HPGD (0.47) ALDH1A1KMT2AHPGDLMNACYP1A2
SCHEMBL16669849 0.80 ALPI (0.58) ALDH1A1HPGDLMNAALPIPKM
SCHEMBL615870 0.80 HPGD (0.47) ALDH1A1MAPTKMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL6475636 0.79 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1HPGD

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 ALDH1A1 1639/4885MAPT 564/4885KMT2A 3433/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 ALDH1A1 1639/4885MAPT 564/4885KMT2A 3433/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 ALDH1A1 1447/4885MAPT 589/4885KMT2A 3504/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 ALDH1A1 1639/4885MAPT 564/4885KMT2A 3433/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 ALDH1A1 1639/4885MAPT 564/4885KMT2A 3433/4885

“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.

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