SCHEMBL130097

SCHEMBL130097

CCOC(=O)c1c(Cc2ccccc2F)c(Br)n(COCc2ccccc2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
AR P10275 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL127762 0.86 SMN1; SMN2 (0.37) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL129140 0.81 SMN1; SMN2 (0.39) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL127986 0.81 NPC1 (0.43) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL128898 0.81 KMT2A (0.36) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL129675 0.80 SMN1; SMN2 (0.38) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL129648 0.78 MAPT (0.35) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL128624 0.73 TSHR (0.46) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL127787 0.73 KMT2A (0.44) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL128226 0.68 SMN1; SMN2 (0.39) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL130676 0.67 TSHR (0.43) NPC1KMT2ARAB9ASMN1; SMN2ALDH1A1

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 3400/4885RAB9A 2999/4885

“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.