SCHEMBL128737

SCHEMBL128737

CCOC(=O)c1cc(Br)n(COCC[Si](C)(C)C)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL129089 0.81 HSD17B10 (0.36) NPC1KMT2AMAPTMEN1RAB9A
SCHEMBL128624 0.79 TSHR (0.46) NPC1KMT2AMAPTMEN1RAB9A
SCHEMBL27077823 0.77 TSHR (0.41) KMT2AMAPTMEN1RAB9ATSHR
SCHEMBL130163 0.77 DGAT1 (0.40) NPC1MAPTRAB9ATSHRALDH1A1
SCHEMBL14972966 0.77 LMNA (0.40) NPC1KMT2AMAPTMEN1RAB9A
SCHEMBL15564103 0.77 DGAT1 (0.40) NPC1KMT2AMAPTRAB9ATSHR
SCHEMBL16396093 0.76 MAPT (0.36) NPC1KMT2AMAPTMEN1RAB9A
SCHEMBL23122981 0.75 DGAT1 (0.35) KMT2AMAPTMEN1TSHRALDH1A1
SCHEMBL21712907 0.75 IDO1 (0.37) NPC1KMT2AMAPTMEN1RAB9A
SCHEMBL20028126 0.73 CA12 (0.39) NPC1KMT2AMAPTMEN1RAB9A

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 NPC1 1907/4885KMT2A 3400/4885MAPT 4877/4885

“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.