SCHEMBL6014919

SCHEMBL6014919

CC1(c2ccccc2)CC(c2ccccc2)=NN(c2ccccc2C#N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.39
HTR1A P08908 7/20 0.39
DRD2 P14416 7/20 0.39
OPRM1 P35372 5/20 0.38
OPRL1 P41146 4/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6014956 0.82 OPRM1 (0.36) OPRM1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6014950 0.80 MAPT (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1NPC1
SCHEMBL5779088 0.67 KMT2A (0.40) HTR1AALDH1A1KDM4ESMN1; SMN2HIF1A
SCHEMBL29933722 0.64 MAPT (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL12396131 0.64 MAPT (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL4045158 0.61 MEN1 (0.37) OPRM1OPRL1ALDH1A1MEN1NPC1
SCHEMBL4040155 0.61 GRIA1 (0.42) DRD2OPRM1OPRL1MEN1KMT2A
SCHEMBL6014993 0.61 CA12 (0.52) ALDH1A1LMNAMEN1MAPTKMT2A
Methsuximide SCHEMBL34853 0.59 CYP19A1 (0.70) ALDH1A1LMNAMEN1KMT2A
Methsuximide SCHEMBL34852 0.59 CYP19A1 (0.70) ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
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

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 HTR7 266/4885HTR1A 268/4885DRD2 849/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 HTR7 287/4885HTR1A 216/4885DRD2 427/4885

“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.