SCHEMBL127717

SCHEMBL127717

CC(C)c1c(Br)n(COCc2ccccc2)c2cnn(COCC[Si](C)(C)C)c(=O)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.35
DGAT1 O75907 2/20 0.31
F11 P03951 1/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MCL1 Q07820 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL130130 0.86 ALDH1A1 (0.36) ALDH1A1NPC1DGAT1HTTKDM4E
SCHEMBL130587 0.81 NPC1 (0.37) ALDH1A1NPC1F11HTTKDM4E
SCHEMBL128762 0.80 DGAT1 (0.37) ALDH1A1NPC1DGAT1F11HTT
SCHEMBL128825 0.79 NPC1 (0.41) ALDH1A1NPC1DGAT1F11KDM4E
SCHEMBL129633 0.79 DGAT1 (0.39) ALDH1A1NPC1DGAT1HTTHSD17B10
SCHEMBL129179 0.79 NPC1 (0.37) ALDH1A1NPC1DGAT1F11HTT
SCHEMBL127594 0.77 ALDH1A1 (0.41) ALDH1A1NPC1F11HTTKDM4E
SCHEMBL127033 0.77 NPC1 (0.32) NPC1
SCHEMBL128758 0.77 NPC1 (0.35) NPC1DGAT1
SCHEMBL127472 0.77 PDE4A (0.33) NPC1

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 ALDH1A1 580/4885NPC1 1907/4885DGAT1 2027/4885

“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.