SCHEMBL5529639

SCHEMBL5529639

CCC(C)(C)C(=O)NCc1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.70
NPC1 O15118 2/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.57
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RX7 Q99572 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 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
SCHEMBL4994370 0.89 NPC1 (0.60) RIPK1NPC1RAB9AALDH1A1HTT
SCHEMBL5001919 0.88 NPC1 (0.58) RIPK1NPC1RAB9AALDH1A1HTT
SCHEMBL5001883 0.86 NPC1 (0.57) RIPK1NPC1RAB9AALDH1A1HTT
SCHEMBL13060159 0.84 RIPK1 (0.70) RIPK1NPC1RAB9AALDH1A1HTT
SCHEMBL20418994 0.84 RIPK1 (0.70) RIPK1HPGD
SCHEMBL17882259 0.83 RIPK1 (1.00) RIPK1NPC1RAB9AALDH1A1LMNA
SCHEMBL29912660 0.83 RIPK1 (1.00) RIPK1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL29912603 0.83 RIPK1 (1.00) RIPK1NPC1RAB9AALDH1A1LMNA
SCHEMBL17882252 0.83 RIPK1 (1.00) RIPK1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL14153985 0.80 RIPK1 (0.65) RIPK1KMT2AMEN1P2RX7HPGD

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 11 patents. 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-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-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
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
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 (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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RIPK1 3/4885NPC1 3177/4885RAB9A 2330/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RIPK1 3/4885NPC1 3139/4885RAB9A 2267/4885
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RIPK1 3/4885NPC1 3139/4885RAB9A 2267/4885
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RIPK1 3/4885NPC1 3139/4885RAB9A 2267/4885

“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.