SCHEMBL6355147

SCHEMBL6355147

COc1cccc(CNC(=O)c2c(Cl)cccc2Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.68
ALDH1A1 P00352 3/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
APEX1 P27695 1/20 0.60
RAB9A P51151 1/20 0.58
POLB P06746 2/20 0.58
ROCK2 O75116 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PRKACA P17612 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCQ Q04759 1/20 0.57

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
SCHEMBL16135695 0.91 HPGD (0.61) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL7853972 0.89 MMP13 (0.58) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL6358788 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDRAB9AMAPT
SCHEMBL17695173 0.84 MMP13 (0.70) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL15649601 0.84 MMP13 (0.62) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL13744517 0.84 ALDH1A1 (0.62) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL28880825 0.83 SMN1; SMN2 (0.57) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL23978716 0.83 MMP13 (0.68) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL30279331 0.83 MMP13 (0.68) MMP13ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL3872357 0.83 MMP13 (0.68) MMP13ALDH1A1HTTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-16 US claimed
US-6969582-B2 Silver halide emulsion containing iridium dopant EASTMAN KODAK COMPANY (US) 2005-11-29 US claimed
US-20050233266-A1 SILVER HALIDE EMULSION CONTAINING IRIDIUM DOPANT QUALEX INC. 2005-10-20 US claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 EP disclosed
US-20190083457-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 US disclosed
WO-2019055169-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-21 WO disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 US disclosed
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-05 US disclosed
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-26 US disclosed
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-26 US disclosed
WO-2008112164-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-09-18 WO disclosed
US-6969582-B2 Silver halide emulsion containing iridium dopant EASTMAN KODAK COMPANY (US) 2005-11-29 US disclosed
US-20050233266-A1 SILVER HALIDE EMULSION CONTAINING IRIDIUM DOPANT QUALEX INC. 2005-10-20 US disclosed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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 (7 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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 MMP13 3662/4885ALDH1A1 13/4885HTT 2395/4885
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 MMP13 3662/4885ALDH1A1 13/4885HTT 2395/4885
US-20190083457-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS ALDH2, ALDH5A1, ALDH1A1 MMP13 4174/4885ALDH1A1 3/4885HTT 2565/4885
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 MMP13 4599/4885ALDH1A1 1194/4885HTT 761/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 MMP13 3662/4885ALDH1A1 13/4885HTT 2395/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD MMP13 3970/4885ALDH1A1 68/4885HTT 3507/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD MMP13 3970/4885ALDH1A1 68/4885HTT 3507/4885

“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.