SCHEMBL128540

SCHEMBL128540

[CH2]Cc1csc(C(=O)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 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
SCHEMBL17716400 0.84 ALDH1A1 (0.39) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL14825340 0.83 SMN1; SMN2 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL19948901 0.83 ALDH1A1 (0.38) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL2218602 0.81 KMT2A (0.38) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL28177526 0.80 ALDH1A1 (0.38) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL128514 0.78 GABRA5 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL129264 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL162705 0.74 ALDH1A1 (0.42) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL129265 0.74 MAPT (0.43) ALDH1A1KMT2ANPSR1SMN1; SMN2MAPT
SCHEMBL15537844 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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 3400/4885NPSR1 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.