SCHEMBL435873

SCHEMBL435873

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nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
MAPT P10636 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
CHRM1 P11229 8/20 0.41
CHRM3 P20309 8/20 0.41
CHRM2 P08172 7/20 0.41
CHRM4 P08173 7/20 0.41
CHRM5 P08912 6/20 0.41
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNA7 P36544 3/20 0.41
HTR1A P08908 2/20 0.41
PGR P06401 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
SCHEMBL435872 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1MAPTBLMKDM4E
Bromide SCHEMBL2532092 0.84 GALR3 (0.50) SMN1; SMN2NFKB1MAPTBLMKDM4E
Hydrochloric Acid SCHEMBL2013485 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NFKB1MAPTBLMKDM4E
SCHEMBL2298043 0.80 KDM4E (0.63) SMN1; SMN2NFKB1MAPTBLMKDM4E
SCHEMBL4258839 0.79 CHRM1 (0.39) SMN1; SMN2NFKB1MAPTBLMCHRM1
SCHEMBL8119128 0.75 BLM (0.45) SMN1; SMN2NFKB1MAPTBLMKDM4E
SCHEMBL2530104 0.74 CHRM1 (0.44) SMN1; SMN2NFKB1MAPTBLMCHRM1
SCHEMBL7999598 0.73 KDM4E (0.63) SMN1; SMN2NFKB1MAPTBLMKDM4E
SCHEMBL14088106 0.73 SMN1; SMN2 (0.63) SMN1; SMN2NFKB1MAPTBLMKDM4E
SCHEMBL112331 0.73 SMN1; SMN2 (0.63) SMN1; SMN2NFKB1MAPTBLMKDM4E

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants RHODE ISLAND HOSPITAL 2017-07-06 US claimed
EP-3166600-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS Rhode Island Hospital (US) 2017-05-17 EP claimed
WO-2016007921-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS RHODEL ISLAND HOSPITAL (US) 2016-01-14 WO claimed
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2007-05-03 US claimed
EP-1691818-A4 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIV ROCHESTER (US) 2007-01-24 EP claimed
EP-1691818-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2006-08-23 EP claimed
WO-2005051978-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2005-06-09 WO claimed
US-10994082-B2 Inhaler counter ASTRAZENECA AB (SE) 2021-05-04 US disclosed
US-20190175849-A1 INHALER COUNTER BANG & OLUFSEN MEDICOM A/S (DK) 2019-06-13 US disclosed
US-20180339119-A1 INHALER BANG & OLUFSEN MEDICOM A/S (DK) 2018-11-29 US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 EP disclosed
EP-3345644-A1 INHALER Astrazeneca AB (SE) 2018-07-11 EP disclosed
EP-2755708-B1 INHALER ASTRAZENECA AB (SE) 2018-05-09 EP disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 WO disclosed
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2007-05-03 US disclosed
EP-1691818-A4 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIV ROCHESTER (US) 2007-01-24 EP disclosed
EP-1691818-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2006-08-23 EP disclosed
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2006-07-20 US disclosed
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-08 US disclosed
WO-2005051978-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2005-06-09 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 (4 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-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants COQ8A, SQOR, COQ8B SMN1; SMN2 2388/4885NFKB1 1920/4885MAPT 3872/4885
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, GLS, PDF SMN1; SMN2 1355/4885NFKB1 687/4885MAPT 3404/4885
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, TXNRD2, HSPA9 SMN1; SMN2 1123/4885NFKB1 778/4885MAPT 3187/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 SMN1; SMN2 960/4885NFKB1 1395/4885MAPT 2218/4885

“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.