SCHEMBL3501182

SCHEMBL3501182

O=C1NC(=O)C(C(=O)C2NC(=O)NC2=O)N1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
RGS12 O14924 1/20 0.43
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
RBP4 P02753 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL10677331 0.80 TSHR (0.50) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL11628675 0.80 TSHR (0.46) TSHRRGS12HSD17B10BACE1TDP1
Potassium Ion SCHEMBL16597641 0.78 TSHR (0.44) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL16597743 0.78 TSHR (0.44) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL5916254 0.78 TSHR (0.39) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL16597486 0.78 TSHR (0.44) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL16597493 0.78 TSHR (0.44) TSHRRGS12HSD17B10BACE1TDP1
SCHEMBL345502 0.77 TSHR (0.42) TSHRRGS12HSD17B10BACE1GAA
SCHEMBL7934703 0.75 HSD17B10 (0.41) TSHRRGS12HSD17B10GAARBP4
SCHEMBL12189523 0.71 TSHR (0.38) TSHRRGS12HSD17B10GAA

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-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 US disclosed
US-8324262-B2 Tricyclic necrostatin compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-12-04 US disclosed
US-20100190836-A1 Compounds, Screens, and Methods of Treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-29 US disclosed
CN-101674826-A Chemical compound, screening and Therapeutic Method HARVARD COLLEGE 2010-03-17 CN disclosed
EP-1968583-A2 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-09-17 EP disclosed
US-7253201-B2 Contacting cell derivatives for decreasing necrosis naphthoprazole derivative for decreasing necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-08-07 US disclosed
WO-2007075772-A2 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-05 WO disclosed
US-20050131044-A1 Contacting cell derivatives for decreasing necrosis naphthoprazole derivative for decreasing necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-06-16 US disclosed
US-6756394-B1 Small molecule inhibitors of necrosis PRESIDENT AND FELLOW OF HARVARD COLLEGE 2004-06-29 US disclosed
WO-2001028493-A2 SMALL MOLECULE INHIBITORS OF NECROSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-04-26 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 (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-20100190836-A1 Compounds, Screens, and Methods of Treatment NLN, HTRA2, CLN6 TSHR 3450/4885RGS12 3946/4885HSD17B10 1163/4885
US-20050131044-A1 Contacting cell derivatives for decreasing necrosis naphthoprazole derivative for decreasing necrosis CASP3, CASP4, BAX TSHR 2470/4885RGS12 4462/4885HSD17B10 2000/4885
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS HTRA2, AIFM1, BAD TSHR 1712/4885RGS12 4288/4885HSD17B10 1897/4885

“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.