SCHEMBL128108

SCHEMBL128108

[CH2]Cc1cccc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MPO P05164 1/20 0.41
BTK Q06187 1/20 0.38
ADORA2A P29274 1/20 0.36
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 1/20 0.34
IDH1 O75874 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
WDR5 P61964 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
SCHEMBL28031732 0.81 MPO (0.49) KDM1AMAOAMAOBMPOBTK
SCHEMBL217520 0.81 KDM1A (0.45) KDM1AMAOAMAOBMPOBTK
SCHEMBL126589 0.80 MAPK8 (0.46) BTKADORA2AGRM5ALDH1A1
SCHEMBL509881 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL18705 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL10568321 0.79 MPO (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL29907787 0.79 MPO (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL29427090 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL9991287 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL29525054 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK

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 KDM1A 2366/4885MAOA 255/4885MAOB 79/4885

“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.