SCHEMBL5542004

SCHEMBL5542004

[c]1ccc(-c2ccoc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
USP2 O75604 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 3/20 0.36
TP53 P04637 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP1A2 P05177 4/20 0.35
HSD17B10 Q99714 4/20 0.35
ALOX15 P16050 3/20 0.35
KDM5B Q9UGL1 1/20 0.35
CLK4 Q9HAZ1 3/20 0.34
FYN P06241 3/20 0.34
CYP3A4 P08684 3/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL196791 0.73 KDM4E (0.30) CYP1A2HIF1A
SCHEMBL971910 0.72 CYP11B1 (0.38) ALDH1A1MEN1KMT2AUSP2CYP2D6
SCHEMBL69777 0.71 KMT2A (0.41) ALDH1A1MEN1KMT2AADORA2ACYP3A4
SCHEMBL17701188 0.71 SCN9A (0.31)
SCHEMBL196321 0.70 LPL (0.41) ALDH1A1CYP2D6CYP2C19ADORA2ACYP1A2
SCHEMBL1315590 0.69 MAPT (0.42) KMT2ACYP2D6CYP2C19TP53CYP11B1
SCHEMBL998693 0.68 ATM (0.37) CYP11B1CYP11B2PIM1
SCHEMBL1416238 0.68 RAB9A (0.39) ALDH1A1MEN1KMT2ACYP1A2HSD17B10
SCHEMBL1415919 0.68 ENPP3 (0.41) ALDH1A1MEN1KMT2AADORA3PIM1
SCHEMBL2099096 0.68 KDM4E (0.52) ALDH1A1MEN1KMT2AUSP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP claimed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US claimed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US claimed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US claimed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP claimed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US disclosed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US disclosed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US disclosed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP disclosed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB ALDH1A1 145/4885MEN1 2777/4885KMT2A 3182/4885

“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.