SCHEMBL877381

SCHEMBL877381

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.79
MAPT P10636 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
IDO1 P14902 2/20 0.79
TP53 P04637 1/20 0.79
GLA P06280 1/20 0.79
CYP3A4 P08684 1/20 0.79
THRB P10828 1/20 0.79
HSD17B10 Q99714 1/20 0.79
KMT2A Q03164 5/20 0.69
POLB P06746 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
MEN1 O00255 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 2/20 0.62
PKM P14618 1/20 0.62
TNF P01375 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL876699 1.00 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2IDO1TP53
SCHEMBL837717 1.00 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2IDO1TP53
SCHEMBL29764703 1.00 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2IDO1TP53
SCHEMBL14982035 0.89 RIPK1 (0.75) RIPK1MAPTSMN1; SMN2IDO1TP53
SCHEMBL14982036 0.89 RIPK1 (0.75) RIPK1MAPTSMN1; SMN2IDO1TP53
Necrostatin SCHEMBL2030647 0.88 RIPK1 (1.00) RIPK1MAPTSMN1; SMN2IDO1TP53
SCHEMBL7601366 0.88 RIPK1 (0.73) RIPK1MAPTSMN1; SMN2IDO1TP53
Necrostatin SCHEMBL14473477 0.88 RIPK1 (1.00) RIPK1MAPTSMN1; SMN2IDO1TP53
Necrostatin SCHEMBL29351522 0.88 RIPK1 (1.00) RIPK1MAPTSMN1; SMN2IDO1TP53
Necrostatin SCHEMBL856922 0.88 RIPK1 (1.00) RIPK1MAPTSMN1; SMN2IDO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2019-01-24 US disclosed
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-9499521-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-22 US disclosed
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 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

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-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 RIPK1 198/4885MAPT 94/4885SMN1; SMN2 665/4885
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 RIPK1 198/4885MAPT 94/4885SMN1; SMN2 665/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD RIPK1 135/4885MAPT 831/4885SMN1; SMN2 80/4885
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 RIPK1 198/4885MAPT 94/4885SMN1; SMN2 665/4885

“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.