SCHEMBL1251237

SCHEMBL1251237

O=c1[nH]nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 3/20 0.43
NAMPT P43490 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL14026308 0.81 PDE4A (0.62) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL1251837 0.76 PARP1 (0.62) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL11401817 0.74 PARP1 (0.60) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14131017 0.74 PDE4A (0.54) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14026331 0.74 PDE4A (0.54) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14026262 0.73 PDE4A (0.53) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7362865 0.73 ALDH1A1 (0.51) PARP1MAPTALDH1A1HTTMEN1
SCHEMBL14131215 0.72 PARP1 (0.54) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2980674 0.71 MAPK1 (0.61) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL14130948 0.71 PDE4A (0.50) PARP1PDE4APDE4BPDE4CPDE4D

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
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 EP disclosed
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 US disclosed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1477175-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-17 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-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient MUSK, RNASE1, DPYD PARP1 4/4885PDE4A 3604/4885PDE4B 3815/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885PDE4A 3567/4885PDE4B 3796/4885

“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.