SCHEMBL1839935

SCHEMBL1839935

Nc1ccc(C2=NC3(CCCCC3)C(=O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL1839009 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1840993 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1841462 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4L3MBTL1MAPTHPGD
SCHEMBL1840324 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1843106 0.84 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL11928586 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1842314 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1841066 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4L3MBTL1MAPTMEN1
SCHEMBL1843017 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL1839448 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
EP-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 EP disclosed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP disclosed
EP-1972636-A1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV ALDH1A1 1191/4885CYP3A4 1245/4885L3MBTL1 3445/4885
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB ALDH1A1 1899/4885CYP3A4 478/4885L3MBTL1 4637/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE ALDH1A1 2527/4885CYP3A4 650/4885L3MBTL1 3961/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV ALDH1A1 1496/4885CYP3A4 789/4885L3MBTL1 4161/4885

“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.