SCHEMBL127292

SCHEMBL127292

[CH2]Cc1csc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.59
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALAD P13716 2/20 0.42
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL127894 0.81 NPSR1 (0.46) DAOMAPTNPSR1HPGDHTT
SCHEMBL1401507 0.81 DAO (0.61) DAOMAPTNPSR1ALADHPGD
SCHEMBL7842550 0.79 DAO (0.59) DAOMAPTNPSR1ALADHPGD
SCHEMBL7372088 0.79 DAO (0.59) DAOMAPTNPSR1ALADHPGD
SCHEMBL6826333 0.79 DAO (0.59) DAOMAPTNPSR1ALADHPGD
SCHEMBL8508372 0.79 DAO (0.59) DAOMAPTNPSR1ALADHPGD
SCHEMBL20049582 0.79 DAO (0.59) DAOMAPTNPSR1ALADHPGD
SCHEMBL30020077 0.78 DAO (0.68) DAOMAPTNPSR1ALADHPGD
SCHEMBL11633548 0.76 DAO (0.66) DAOMAPTNPSR1ALADHPGD
SCHEMBL8796177 0.76 DAO (0.66) DAOMAPTNPSR1ALADHPGD

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 DAO 388/4885MAPT 4877/4885NPSR1 859/4885

“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.