SCHEMBL129593

SCHEMBL129593

[CH2]Cc1cccnc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.46
MAOA P21397 2/20 0.46
SLC13A5 Q86YT5 1/20 0.46
MAOB P27338 1/20 0.46
APLNR P35414 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BTK Q06187 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
HTR2B P41595 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL128656 0.82 SLC13A5 (0.47) SLC13A5MEN1KMT2AL3MBTL1
SCHEMBL91503 0.82 SLC13A5 (0.50) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL31365171 0.80 MEN1 (0.60) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL18440 0.80 MEN1 (0.60) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL29587038 0.80 KDM1A (0.46) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL18291875 0.80 SLC13A5 (0.49) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL6588356 0.80 SLC13A5 (0.49) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL2960548 0.80 SLC13A5 (0.49) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL19465 0.80 HTR2A (0.46) KDM1AMAOASLC13A5MAOBAPLNR
SCHEMBL1265988 0.80 KDM1A (0.46) KDM1AMAOASLC13A5MAOBAPLNR

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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 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 (2 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-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC KDM1A 1710/4885MAOA 656/4885SLC13A5 1163/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 KDM1A 2366/4885MAOA 255/4885SLC13A5 1728/4885

“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.