SCHEMBL4121702

SCHEMBL4121702

CC(=O)Nc1ccc(OC(=O)CCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
KMT2A Q03164 10/20 0.62
MEN1 O00255 5/20 0.62
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.50
ESR2 Q92731 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 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
SCHEMBL11284305 0.95 OPRK1 (0.61) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL11275255 0.89 OPRK1 (0.54) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL10329430 0.88 OPRK1 (0.62) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL8223629 0.86 KMT2A (0.60) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL12987121 0.85 KMT2A (0.68) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL20660653 0.85 OPRK1 (0.59) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL20660561 0.85 OPRK1 (0.59) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL20660719 0.85 OPRK1 (0.59) OPRK1KMT2AMEN1NPSR1HSD17B10
Hydrochloric Acid SCHEMBL3807668 0.85 KMT2A (0.58) OPRK1KMT2AMEN1NPSR1HSD17B10
SCHEMBL10620286 0.85 OPRK1 (0.59) OPRK1KMT2AMEN1NPSR1HSD17B10

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2024-06-27 US disclosed
EP-4306524-A2 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS PureTech LYT, Inc. (US) 2024-01-17 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-7442826-B2 Process for the preparation of nitrooxyderivatives of paracetamol NICOX S.A. (FR) 2008-10-28 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
US-20070197499-A1 Pharmaceutical compounds NICOX S.A. 2007-08-23 US disclosed
US-20070149801-A1 New process for the preparation of nitrooxyderivatives of paracetamol NICOX S.A. (FR) 2007-06-28 US disclosed
US-20070149801-A1 New process for the preparation of nitrooxyderivatives of paracetamol NICOX S.A. (FR) 2007-06-28 US disclosed
CN-1923797-A Pharmaceutical compounds NICOX SA (FR) 2007-03-07 CN disclosed
CN-1289466-C Pharmaceutical compounds NICOX SA (FR) 2006-12-13 CN disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
CN-1433396-A Pharmaceutical compounds NICOX SA (FR) 2003-07-30 CN disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 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 (6 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-20070197499-A1 Pharmaceutical compounds NR0B2, NR0B1, CYP11B2 OPRK1 24/4885KMT2A 4577/4885MEN1 1637/4885
US-20070149801-A1 New process for the preparation of nitrooxyderivatives of paracetamol CYP2E1, CYP3A43, CYP3A5 OPRK1 69/4885KMT2A 4423/4885MEN1 4454/4885
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 OPRK1 82/4885KMT2A 3396/4885MEN1 4805/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 OPRK1 120/4885KMT2A 2845/4885MEN1 4552/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 OPRK1 412/4885KMT2A 2615/4885MEN1 4828/4885
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 OPRK1 3695/4885KMT2A 2872/4885MEN1 1498/4885

“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.