SCHEMBL4998310

SCHEMBL4998310

CCOC(=O)C(c1ccc(OC)cc1)C(C(=O)[N+](=O)[O-])c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 4/20 0.47
EDNRA P25101 1/20 0.44
GFER P55789 2/20 0.43
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 2/20 0.42
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
CNR1 P21554 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL8152135 0.82 KMT2A (0.57) KMT2AMEN1EDNRAGFERPOLB
SCHEMBL4998200 0.77 KMT2A (0.48) KMT2AMEN1EDNRASMN1; SMN2ALDH1A1
SCHEMBL4995400 0.75 KMT2A (0.47) KMT2AMEN1EDNRASMN1; SMN2LMNA
SCHEMBL7831531 0.75 MAPT (0.52) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL7842141 0.74 KMT2A (0.58) KMT2AMEN1EDNRAPOLBSMN1; SMN2
SCHEMBL7295115 0.73 GAA (0.48) KMT2AMEN1EDNRAPOLBTP53
SCHEMBL6138702 0.73 RAB9A (0.56) KMT2AMEN1EDNRASMN1; SMN2ALDH1A1
SCHEMBL7839624 0.73 KMT2A (0.48) KMT2AMEN1EDNRAPOLBALDH1A1
SCHEMBL7841623 0.72 KMT2A (0.44) KMT2AMEN1EDNRAPOLBSMN1; SMN2
SCHEMBL7842489 0.72 RAB9A (0.44) KMT2AMEN1ALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
US-6462194-B1 Endothelin antagonists ABBOTT LABORATORIES 2002-10-08 US disclosed
EP-0776324-B1 ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-06-12 EP disclosed
US-6380241-B1 FOR THERAPY OF CORONARY ANGINA, CEREBRAL VASOSPASM, ACUTE AND CHRONIC RENAL FAILURE, GASTRIC ULCERATION, CYCLOSPORIN-INDUCED NEPHROTOXICITY, ENDOTOXIN-INDUCED TOXICITY, ASTHMA, LPL-RELATED LIPOPROTEIN DISORDERS, PROLIFERATIVE DISEASES ABBOTT LABORATORIES 2002-04-30 US disclosed
EP-1186603-A2 Processes for preparing endothelin antagonists Abbott Laboratories (US) 2002-03-13 EP disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 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 (1 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 KMT2A 3752/4885MEN1 517/4885EDNRA 1/4885

“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.