SCHEMBL5528722

SCHEMBL5528722

O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 1.00
KMT2A Q03164 4/20 0.91
MEN1 O00255 3/20 0.91
L3MBTL1 Q9Y468 2/20 0.91
RAB9A P51151 1/20 0.71
MAPT P10636 1/20 0.69
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TACR1 P25103 1/20 0.56

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
SCHEMBL13879449 0.92 KMT2A (1.00) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL5531669 0.90 L3MBTL1 (1.00) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL13879430 0.82 NPSR1 (0.71) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL838180 0.82 KMT2A (0.75) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL17830374 0.78 TNF (0.82) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL13879424 0.78 NPSR1 (0.65) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL25154850 0.78 KMT2A (0.69) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL17830349 0.77 TNF (0.79) TNFKMT2AMEN1L3MBTL1RAB9A
SCHEMBL21400727 0.76 KMT2A (0.67) TNFKMT2AMEN1L3MBTL1MAPT
SCHEMBL876699 0.76 RIPK1 (0.79) TNFKMT2AMEN1L3MBTL1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-05-09 US disclosed
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-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
US-9586880-B2 Small molecule inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 US disclosed
US-9586880-B2 Small molecule inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 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-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 US disclosed
EP-3000468-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS President and Fellows of Harvard College (US) 2016-03-30 EP disclosed
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-23 US disclosed
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-23 US disclosed
WO-2012125544-A2 NECROPTOSIS INHIBITORS AND METHODS OF USE THEREFOR PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-20 WO disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 US disclosed
WO-2010075561-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-01 WO 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 (7 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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 TNF 1/4885KMT2A 3609/4885MEN1 3622/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 TNF 1/4885KMT2A 3648/4885MEN1 3614/4885
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 TNF 1/4885KMT2A 3648/4885MEN1 3614/4885
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885KMT2A 4813/4885MEN1 2256/4885
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885KMT2A 4813/4885MEN1 2256/4885
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 TNF 1/4885KMT2A 3648/4885MEN1 3614/4885
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885KMT2A 4813/4885MEN1 2256/4885

“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.