SCHEMBL127762

SCHEMBL127762

CCOC(=O)c1c(Cc2ccccc2C#N)c(Br)n(COCc2ccccc2)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
MAP2K1 Q02750 1/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GNRHR P30968 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL130097 0.86 NPC1 (0.42) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL129140 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL128226 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL128898 0.79 KMT2A (0.36) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL129675 0.78 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL129263 0.78 MAPT (0.34) MAPTNPSR1TSHR
SCHEMBL128624 0.71 TSHR (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL127787 0.71 KMT2A (0.44) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL129168 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL127986 0.68 NPC1 (0.43) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A

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 4 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
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 SMN1; SMN2 4613/4885KDM4E 1902/4885ALDH1A1 580/4885

“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.