SCHEMBL128485

SCHEMBL128485

[CH2]Cc1cccnc1OCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
BRD4 O60885 1/20 0.37
MITF O75030 1/20 0.37
SLC13A5 Q86YT5 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
GRM5 P41594 1/20 0.35
LMNA P02545 2/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL128656 0.85 SLC13A5 (0.47) NPC1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL12134746 0.81 SLC13A5 (0.41) HAO1NPC1MAPTHPGDMAPK1
SCHEMBL129593 0.79 KDM1A (0.46) MEN1KMT2AL3MBTL1SLC13A5KDM1A
SCHEMBL129522 0.78 HPGD (0.41) HAO1NPC1MAPTHPGDMAPK1
SCHEMBL129523 0.76 PDE1A (0.43) NPC1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL27634546 0.76 GRM5 (0.48) NPC1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL24599799 0.74 GAA (0.43) NPC1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1936652 0.74 CYP1A2 (0.43) HAO1NPC1MAPTHPGDMAPK1
SCHEMBL6497375 0.74 ALDH1A1 (0.43) NPC1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL12754891 0.74 KDM4E (0.45) HAO1NPC1MAPTHPGDMAPK1

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 HAO1 272/4885NPC1 1907/4885MAPT 4877/4885

“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.