SCHEMBL4436705

SCHEMBL4436705

CCOC(=O)c1cc(-c2ccccc2)n[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGDS O60760 2/20 0.54
CCR6 P51684 1/20 0.53
POLB P06746 1/20 0.52
ALPL P05186 1/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL1750739 0.88 CASP1 (0.60) KDM4EL3MBTL1MAPK1POLBALPL
SCHEMBL4428979 0.87 ALK (0.53) KDM4EL3MBTL1HPGDSPOLBALPL
SCHEMBL20471292 0.87 ALPL (0.70) KDM4EL3MBTL1MAPK1ALPLGAA
SCHEMBL7275274 0.87 ALPL (0.53) KDM4EL3MBTL1ALPLGAAMAPT
SCHEMBL4848506 0.86 MEN1 (0.53) L3MBTL1HPGDSALPLMAPTRAB9A
SCHEMBL7724710 0.86 MAPT (0.71) KDM4EL3MBTL1MAPK1POLBALPL
SCHEMBL1925116 0.85 GAA (0.67) L3MBTL1MAPK1HPGDSPOLBALPL
SCHEMBL11253347 0.84 ALDH1A1 (0.48) KDM4EL3MBTL1MAPK1TDP1HPGDS
SCHEMBL22441976 0.84 KDM4E (0.51) KDM4EL3MBTL1ALPLGAAMAPT
SCHEMBL7275356 0.84 KDM4E (0.51) KDM4EL3MBTL1MAPK1ALPLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 US 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 (3 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 KDM4E 1727/4885L3MBTL1 3753/4885MAPK1 1427/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 KDM4E 647/4885L3MBTL1 183/4885MAPK1 4367/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 KDM4E 2321/4885L3MBTL1 4350/4885MAPK1 1574/4885

“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.