SCHEMBL127787

SCHEMBL127787

CCOC(=O)c1c(Br)cn(COCc2ccccc2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 4/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
PRNP P04156 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL127986 0.81 NPC1 (0.43) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL129380 0.81 UCHL1 (0.39) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23122981 0.79 DGAT1 (0.35) KMT2ASMN1; SMN2MAPTGAAKDM4E
SCHEMBL24937259 0.79 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2MAPTGAAKDM4E
SCHEMBL128226 0.78 SMN1; SMN2 (0.39) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL130676 0.78 TSHR (0.43) KMT2ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL129168 0.77 SMN1; SMN2 (0.39) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL128773 0.76 SMN1; SMN2 (0.37) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL128231 0.76 SMN1; SMN2 (0.39) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27077745 0.76 ALDH1A1 (0.45) KMT2ASMN1; SMN2MAPTGAALMNA

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 KMT2A 3400/4885RAB9A 2999/4885NPC1 1907/4885

“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.