SCHEMBL12495017

SCHEMBL12495017

NC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 3/20 0.73
CYP2C9 P11712 2/20 0.73
KMT2A Q03164 4/20 0.64
RAB9A P51151 1/20 0.55
SCN9A Q15858 2/20 0.54
FHIT P49789 1/20 0.50
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CTNNB1 P35222 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
MET P08581 2/20 0.43

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
SCHEMBL12495269 0.89 CYP1A2 (0.76) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL15439768 0.86 CYP1A2 (0.72) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12495068 0.84 CYP2C19 (1.00) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL15422625 0.79 KMT2A (1.00) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12495306 0.78 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12494749 0.78 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12494753 0.78 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12495310 0.78 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL12494794 0.77 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL15440476 0.77 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479771-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2019-11-19 US disclosed
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2018-02-01 US disclosed
US-9815795-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2017-11-14 US disclosed
EP-2683711-B1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORP (FI) 2017-02-01 EP disclosed
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2016-08-25 US disclosed
US-9371290-B2 Pyridazinone compounds BIOTIE THERAPIES CORPORATION (FI) 2016-06-21 US disclosed
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2014-01-23 US disclosed
EP-2683711-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS Biotie Therapies Corp. (FI) 2014-01-15 EP disclosed
WO-2012120195-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2012-09-13 WO 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 (4 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-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK SMN1; SMN2 3199/4885CYP1A2 14/4885CYP2C19 11/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK SMN1; SMN2 3379/4885CYP1A2 20/4885CYP2C19 23/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK SMN1; SMN2 3199/4885CYP1A2 14/4885CYP2C19 11/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK SMN1; SMN2 3199/4885CYP1A2 14/4885CYP2C19 11/4885

“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.