SCHEMBL131218

SCHEMBL131218

[CH2]c1cccnc1C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLCG1 P19174 1/20 0.35
NAPRT Q6XQN6 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC22A12 Q96S37 3/20 0.34
P4HTM Q9NXG6 1/20 0.33
KDM6B O15054 1/20 0.33
KDM6A O15550 1/20 0.33
TET3 O43151 1/20 0.33

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
SCHEMBL131219 0.80 SSTR4 (0.46) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL31254559 0.79 KDM4E (0.40) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL365596 0.79 SMN1; SMN2 (0.42) KDM4ETDP1ALDH1A1CYP3A4LMNA
SCHEMBL29700926 0.79 NAPRT (0.42) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL26622744 0.79 NAPRT (0.42) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL129207 0.78 KDM4E (0.39) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL130123 0.77 CYP3A4 (0.35) KDM4EL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL31446689 0.76 CA12 (0.42) KDM4EALDH1A1MAPTPLCG1LMNA
SCHEMBL29133299 0.73 POLB (0.47) KDM4ETDP1L3MBTL1ALDH1A1MAPT
SCHEMBL127351 0.69 HTT (0.35) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4

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 5 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

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 KDM4E 1902/4885TDP1 4125/4885L3MBTL1 2482/4885

“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.