SCHEMBL837266

SCHEMBL837266

CCOC(=O)C(Cc1c[nH]c2c(Cl)cccc12)(NC=O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
HTR2A P28223 1/20 0.41
AHR P35869 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4D Q08499 2/20 0.39
RIPK1 Q13546 3/20 0.38
RECQL P46063 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 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
SCHEMBL837438 0.87 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL837253 0.87 MPO (0.45) SLC6A4ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL837919 0.86 MTNR1A (0.50) HTR2AALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL838321 0.82 PKM (0.55) HTR2AALDH1A1MAPTKDM4ELMNA
SCHEMBL837267 0.81 NR4A2 (0.39) NR4A2HTR2AAHRSLC6A4ALDH1A1
SCHEMBL837466 0.81 MAPK1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL23438306 0.79 TSHR (0.47) NR4A2HTR2AHSD17B10
SCHEMBL836527 0.78 CDK2 (0.38) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL836528 0.78 NR4A2 (0.43) NR4A2AHRALDH1A1MAPTL3MBTL1
SCHEMBL12585072 0.76 GPR84 (0.46) ALDH1A1MAPTKDM4ERECQL

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 US disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 US disclosed
US-8324262-B2 Tricyclic necrostatin compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-12-04 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
EP-2384753-A1 Hydantoin derivatives as inhibitors of cellular necrosis The Brigham and Women's Hospital, Inc. (US) 2011-11-09 EP disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-20100190836-A1 Compounds, Screens, and Methods of Treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-29 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
WO-2007075772-A2 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-05 WO disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 US 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-20100190836-A1 Compounds, Screens, and Methods of Treatment NLN, HTRA2, CLN6 NR4A2 1846/4885HTR2A 2249/4885AHR 3911/4885
US-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD NR4A2 3992/4885HTR2A 4015/4885AHR 4812/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD NR4A2 3992/4885HTR2A 4015/4885AHR 4812/4885
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS HTRA2, AIFM1, BAD NR4A2 2174/4885HTR2A 2035/4885AHR 4036/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD NR4A2 3992/4885HTR2A 4015/4885AHR 4812/4885

“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.