SCHEMBL837405

SCHEMBL837405

CN1C(=O)C(Cc2c[nH]c3c(Cl)cccc23)NC1=S

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.80
MAPT P10636 3/20 0.67
TP53 P04637 1/20 0.67
GLA P06280 1/20 0.67
CYP3A4 P08684 1/20 0.67
THRB P10828 1/20 0.67
IDO1 P14902 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TNF P01375 7/20 0.58
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.45
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29638037 0.89 RIPK1 (1.00) RIPK1MAPTTP53GLACYP3A4
SCHEMBL29362205 0.89 RIPK1 (1.00) RIPK1MAPTTP53GLACYP3A4
SCHEMBL859956 0.89 RIPK1 (1.00) RIPK1MAPTTP53GLACYP3A4
SCHEMBL859928 0.89 RIPK1 (1.00) RIPK1MAPTTP53GLACYP3A4
SCHEMBL860317 0.89 RIPK1 (1.00) RIPK1MAPTTP53GLACYP3A4
SCHEMBL860017 0.87 RIPK1 (0.82) RIPK1MAPTTP53GLACYP3A4
SCHEMBL860613 0.87 RIPK1 (0.82) RIPK1MAPTTP53GLACYP3A4
SCHEMBL860449 0.87 RIPK1 (0.82) RIPK1MAPTTP53GLACYP3A4
SCHEMBL12169035 0.86 RIPK1 (0.67) RIPK1MAPTTP53GLACYP3A4
SCHEMBL839069 0.86 RIPK1 (0.67) RIPK1MAPTTP53GLACYP3A4

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
EP-3875086-A1 DUAL-INHIBITORS OF CELLULAR NECROPTOSIS AND FERROPTOSIS FOR USE IN THE TREATMENT OF ORGAN TRANSPLANT PATIENTS Technische Universität Dresden (DE) 2021-09-08 EP disclosed
EP-3875086-A1 DUAL-INHIBITORS OF CELLULAR NECROPTOSIS AND FERROPTOSIS FOR USE IN THE TREATMENT OF ORGAN TRANSPLANT PATIENTS Technische Universität Dresden (DE) 2021-09-08 EP disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
US-20160324992-A1 IDENTIFICATION AND TREATMENT OF VULNERABLE PLAQUES OTTAWA HEART INSTITUTE RESEARCH CORPORATION (CA) 2016-11-10 US disclosed
US-20160324992-A1 IDENTIFICATION AND TREATMENT OF VULNERABLE PLAQUES OTTAWA HEART INSTITUTE RESEARCH CORPORATION (CA) 2016-11-10 US disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
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-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-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
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
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 (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-20100190836-A1 Compounds, Screens, and Methods of Treatment NLN, HTRA2, CLN6 RIPK1 815/4885MAPT 233/4885TP53 306/4885
US-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD RIPK1 135/4885MAPT 831/4885TP53 516/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD RIPK1 135/4885MAPT 831/4885TP53 516/4885
US-20160324992-A1 IDENTIFICATION AND TREATMENT OF VULNERABLE PLAQUES CASP1, RIPK1, RIPK3 RIPK1 2/4885MAPT 2761/4885TP53 1661/4885

“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.