SCHEMBL4041589

SCHEMBL4041589

OCCc1cc(-c2cccc(I)c2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.40
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
JAK2 O60674 2/20 0.38
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK5 Q00535 2/20 0.38
ROCK1 Q13464 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKB Q96GD4 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL4629123 0.88 NOTUM (0.68) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL4050311 0.82 NOTUM (0.74) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL3955619 0.82 NOTUM (0.51) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL1844414 0.82 NOTUM (0.53) NOTUMALDH1A1RAB9ASMN1; SMN2MAPT
Lithium Ion SCHEMBL30047029 0.80 NOTUM (0.70) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL4041989 0.78 NOTUM (0.48) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL4040717 0.76 NOTUM (0.37) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL4041587 0.71 MLLT1 (0.41) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL23863307 0.69 NOTUM (0.70) NOTUMTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL9902173 0.69 NOTUM (0.42) NOTUMTDP1L3MBTL1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP claimed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
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
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 (1 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-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 NOTUM 2620/4885TDP1 4289/4885L3MBTL1 4350/4885

“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.