SCHEMBL1436622

SCHEMBL1436622

CC(=O)N(O)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.70
PTGS1 P23219 1/20 0.70
PTGS2 P35354 1/20 0.70
RIPK1 Q13546 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
TSPO P30536 1/20 0.51
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
Cyclohexane SCHEMBL9835197 0.94 ALOX5 (0.64) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL9707312 0.88 PTGS1 (0.62) ALOX5PTGS1PTGS2RIPK1LMNA
SCHEMBL3279004 0.84 ALOX5 (0.60) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL9707420 0.84 ALOX5 (0.70) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL9707326 0.83 ALOX5 (0.57) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL9707249 0.83 ALOX5 (1.00) ALOX5PTGS1PTGS2TSPOALDH1A1
SCHEMBL628573 0.82 RIPK1 (0.53) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL11127626 0.80 ALOX5 (0.56) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL2526727 0.80 LMNA (0.57) ALOX5PTGS1PTGS2RIPK1NPC1
SCHEMBL2117209 0.80 LMNA (0.62) NPC1RAB9ACA12CA9TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030215781-A1 Protective solutions for organs DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2003-11-20 US claimed
EP-1362511-A1 Protective solution for preventing ischaemia Dr. Franz Köhler Chemie GmbH (DE) 2003-11-19 EP claimed
EP-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP claimed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 WO claimed
US-9603354-B2 Protective solutions for organs DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2017-03-28 US disclosed
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-05-26 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-7977383-B2 Containing alkali ions, electrolytes, a buffer, polyol, saccharide and hydroxamic acid derivatives DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2011-07-12 US disclosed
EP-1362511-B1 Protective solution for preventing ischaemia KOEHLER CHEMIE DR FRANZ (DE) 2011-03-30 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
EP-1859679-B1 Protective solution for preventing ischaemia damage KOEHLER CHEMIE DR FRANZ (DE) 2009-10-28 EP disclosed
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
CN-1281436-A N-Benzyl-3-indenylacetamides derivatives for treating neoplasia CELL PATHWAYS INC (US) 2001-01-24 CN disclosed
US-6166053-A Substituted condensation products of N-benzyl-3-idenylacetamides with heterocyclic aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-12-26 US disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6066634-A PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. (US) 2000-05-23 US disclosed
US-5948779-A APOPTOSIS; ANTICANCER AGENT CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 WO disclosed
EP-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP disclosed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT ALOX5 476/4885PTGS1 836/4885PTGS2 922/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT ALOX5 395/4885PTGS1 626/4885PTGS2 815/4885
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 ALOX5 704/4885PTGS1 1332/4885PTGS2 2155/4885
US-20030215781-A1 Protective solutions for organs GLS, CA1, SI ALOX5 2508/4885PTGS1 694/4885PTGS2 954/4885

“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.