SCHEMBL128976

SCHEMBL128976

O=c1[nH]ncc2c1ccn2COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.39
PDE4B Q07343 2/20 0.38
PARP1 P09874 2/20 0.38
PRKCI P41743 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL126126 0.77 ALDH1A1 (0.47) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL130534 0.77 ALDH1A1 (0.39) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL127842 0.74 ALDH1A1 (0.40) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL128833 0.73 ALDH1A1 (0.39) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL132426 0.73 ALDH1A1 (0.39) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL127738 0.71 UPP1 (0.43) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL24968334 0.70 PARP1 (0.34) HSD17B10TDP1KDM4ECYP1A2CYP2C9
SCHEMBL130003 0.69 UPP1 (0.39) CYP2C9CYP2C19ALDH1A1PDE3BPDE3A
SCHEMBL131345 0.69 DGAT1 (0.37) ALDH1A1PKMMAPK14EGFRIGF1R
SCHEMBL6722429 0.69 DUT (0.59) ALDH1A1TSHR

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 8 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
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (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
US-7309552-B2 Containing the reaction product of a dibenzo [a,c]phenadine-2,7-bisdiazonium salt and a coupler such as N-benzyl-2-hydroxy-7,8-naphthalic acid imide; stilbene charge transport material; 1alkylidene-2,3-diphenylindene acceptor; biphenol; copolycarbonate containing arylamine groups; highly durable RICOH COMPANY, LTD. (JP) 2007-12-18 US disclosed
US-20050266331-A1 Electrophotographic photoconductor, electrophotography, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH COMPANY, LTD. (JP) 2005-12-01 US disclosed
EP-1521125-A1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound Ricoh Company (JP) 2005-04-06 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 HSD17B10 76/4885TDP1 4125/4885KDM4E 1902/4885

“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.