SCHEMBL127935

SCHEMBL127935

[CH2]Cc1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 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
SCHEMBL1401537 0.80 DAO (0.50) DAOMRGPRX4TP53PKMLIG1
SCHEMBL4970408 0.79 DAO (0.45) DAOMRGPRX4TP53PKMLIG1
SCHEMBL13675115 0.78 DAO (0.48) DAOMRGPRX4TP53PKMLIG1
SCHEMBL9067494 0.78 HPGD (0.65) DAOMRGPRX4TP53PKMLIG1
SCHEMBL4028375 0.78 DAO (0.54) DAOMRGPRX4TP53PKMLIG1
SCHEMBL1402106 0.78 DAO (0.54) DAOMRGPRX4TP53PKMLIG1
SCHEMBL7419192 0.78 DAO (0.48) DAOMRGPRX4TP53PKMLIG1
SCHEMBL262044 0.78 HPGD (0.56) DAOMRGPRX4TP53PKMLIG1
Hydrochloric Acid SCHEMBL7422669 0.77 DAO (0.47) DAOMRGPRX4TP53PKMLIG1
Iodide SCHEMBL28974088 0.77 DAO (0.47) DAOMRGPRX4TP53PKMLIG1

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 388/4885MRGPRX4 926/4885TP53 3912/4885

“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.