SCHEMBL838039

SCHEMBL838039

CN1C(=O)C(Cc2c[nH]c3ccccc23)N(C)C1=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
IDO1 P14902 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
GLA P06280 1/20 0.62
CYP3A4 P08684 1/20 0.62
THRB P10828 1/20 0.62
RIPK1 Q13546 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KMT2A Q03164 5/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 3/20 0.49
CCKBR P32239 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR6 P50406 4/20 0.47
GAA P10253 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL23431475 0.81 KMT2A (0.59) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL23431470 0.79 KMT2A (0.56) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL2030646 0.78 MAPT (0.54) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL856922 0.77 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL29351522 0.77 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL14473477 0.77 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL2030647 0.77 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL23431467 0.77 TNF (0.60) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL23431476 0.77 KMT2A (0.54) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL21133080 0.76 MAPT (0.61) MAPTIDO1SMN1; SMN2TP53GLA

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 21 patents — showing the first 20. 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
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-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 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
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-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-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US 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 (3 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-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD MAPT 831/4885IDO1 2000/4885SMN1; SMN2 80/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD MAPT 831/4885IDO1 2000/4885SMN1; SMN2 80/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD MAPT 831/4885IDO1 2000/4885SMN1; SMN2 80/4885

“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.