SCHEMBL6014956

SCHEMBL6014956

CC1(c2ccccc2)CC(c2ccccc2)=NN(c2ccccc2Br)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 3/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 2/20 0.34
CYP2C19 P33261 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL6014950 0.83 MAPT (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL6014919 0.82 HTR7 (0.39) OPRM1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4043960 0.72 CA12 (0.39) OPRM1CA12CA1CA2CA9
SCHEMBL4038644 0.70 CA12 (0.40) CA12CA1CA2CA9CYP1A2
SCHEMBL20138653 0.65 GAA (0.48) CYP1A2GAANPC1RAB9ASMN1; SMN2
SCHEMBL4044374 0.65 CA12 (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL5780097 0.64 KMT2A (0.37) KMT2ACYP2D6MGLL
SCHEMBL6014993 0.63 CA12 (0.52) CA12CA1CA2CA9CYP1A2
Methsuximide SCHEMBL34853 0.61 CYP19A1 (0.70) CYP2C19MEN1KMT2AGRM4MMP1
Methsuximide SCHEMBL34852 0.61 CYP19A1 (0.70) CYP2C19MEN1KMT2AGRM4MMP1

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 OPRM1 113/4885CA12 1556/4885CA1 378/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 OPRM1 239/4885CA12 2084/4885CA1 599/4885

“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.