SCHEMBL129380

SCHEMBL129380

CCOC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cn(COCc2ccccc2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL127787 0.81 KMT2A (0.44) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL127986 0.75 NPC1 (0.43) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL128226 0.73 SMN1; SMN2 (0.39) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL130676 0.73 TSHR (0.43) RAB9AKMT2ANPC1LMNAKDM4E
SCHEMBL129168 0.72 SMN1; SMN2 (0.39) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL128773 0.71 SMN1; SMN2 (0.37) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL128231 0.71 SMN1; SMN2 (0.39) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL128523 0.70 SLC7A5 (0.41) RAB9AKMT2ANPC1MAPTLMNA
SCHEMBL15519620 0.69 RAB9A (0.44) UCHL1RAB9AKMT2ANPC1MAPT
SCHEMBL25943142 0.67 ALOX5 (0.44) KMT2AMAPTLMNAGAAKDM4E

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 UCHL1 3154/4885RAB9A 2999/4885KMT2A 3400/4885

“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.