SCHEMBL127591

SCHEMBL127591

C[Si](C)(C)CCOCn1c(Br)c(Cc2ccccc2O)c2c(=O)[nH]ncc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.34
TRPC5 Q9UL62 2/20 0.32
MAPT P10636 1/20 0.32
KDM4A O75164 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP2 P50579 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
SCHEMBL127593 0.84 IDH1 (0.36) NPC1MAPT
SCHEMBL129927 0.80 LMNA (0.31) NPC1LMNA
SCHEMBL126656 0.79 NPC1 (0.34) NPC1MAPT
SCHEMBL129327 0.78 NPC1 (0.33) NPC1MAPTKDM4ALMNAHSD17B10
SCHEMBL127844 0.78 LMNA (0.33) NPC1MAPTLMNA
SCHEMBL128929 0.77 PDE4D (0.31) NPC1
SCHEMBL128350 0.76
SCHEMBL126937 0.76 NPC1 (0.32) NPC1
SCHEMBL129821 0.71 NPC1 (0.36) NPC1CYP1A2MAPTLMNAHSD17B10
SCHEMBL128351 0.70

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 1907/4885CYP1A2 84/4885TRPC5 1038/4885

“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.