SCHEMBL131082

SCHEMBL131082

O[CH]c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.45
SLC22A1 O15245 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
MAOA P21397 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL28875129 0.78 KMT2A (0.50) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6705063 0.75 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL16958731 0.74 CYP3A4 (0.42) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL16961072 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL8579781 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL5781095 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL4871529 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL1547930 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL11684123 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL181965 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2

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 ALDH1A1 580/4885KMT2A 3400/4885MEN1 3295/4885

“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.