SCHEMBL17828341

SCHEMBL17828341

Cc1ccc2[nH]cc(C[C@H]3NC(=O)N(C)C3=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
IDO1 P14902 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TNF P01375 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HTR1D P28221 2/20 0.53
HTR1B P28222 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL860394 0.89 RIPK1 (0.72) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL29764703 0.83 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL877381 0.83 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL876699 0.83 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL837717 0.83 RIPK1 (0.79) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL17830370 0.78 IDO1 (0.51) MAPTIDO1HSD17B10L3MBTL1HTR1D
SCHEMBL20053035 0.78 IDO1 (0.51) MAPTIDO1HSD17B10L3MBTL1HTR1D
SCHEMBL20668166 0.78 HTR1D (0.54) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL837893 0.76 MAPT (0.71) RIPK1MAPTSMN1; SMN2TP53GLA
SCHEMBL14235650 0.74 RIPK1 (0.76) RIPK1MAPTSMN1; 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 10 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-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-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
WO-2016094846-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 WO disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 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-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-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.