SCHEMBL4048906

SCHEMBL4048906

N#Cc1ccccc1-n1nc(Cl)cc(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 2/20 0.38
GALR3 O60755 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.37
BCAT1 P54687 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6014901 0.81 GRIA1 (0.42) KDM4EALDH1A1HTTNPSR1GAA
SCHEMBL6014899 0.80 GRIA1 (0.49) KDM4EALDH1A1GAASMN1; SMN2ATM
SCHEMBL4722383 0.77 GRIA1 (0.40) KDM4EALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL6014966 0.77 PDPK1 (0.40) KDM4EALDH1A1GAAHPGDTDP1
SCHEMBL6014876 0.71 CYP2A6 (0.46) KDM4EALDH1A1NPSR1GAAGLA
SCHEMBL6014925 0.68 GRIA1 (0.56) KDM4ELMNACYP1A2HIF1AMAPT
SCHEMBL6014918 0.68 GRIA1 (0.47) KDM4EMAPT
SCHEMBL18866979 0.68 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHTTNPSR1
SCHEMBL1884869 0.67 GRIA1 (0.69) KDM4EALDH1A1GAAGLA
SCHEMBL6014837 0.67 GRIA1 (0.43) KDM4EALDH1A1LMNAHTTHPGD

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
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 CN disclosed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP 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
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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 (2 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 1727/4885ALDH1A1 1550/4885LMNA 2726/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 KDM4E 2321/4885ALDH1A1 2206/4885LMNA 2181/4885

“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.