SCHEMBL15440476

SCHEMBL15440476

O=c1cc(Oc2ccccc2)c(Cl)nn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2C9 P11712 2/20 0.60
KMT2A Q03164 6/20 0.57
BCAT1 P54687 1/20 0.48
CYP3A4 P08684 2/20 0.45
LMNA P02545 4/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.40
NPBWR1 P48145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 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
SCHEMBL12494794 0.82 CYP1A2 (0.60) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL12495269 0.79 CYP1A2 (0.76) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL12495017 0.77 SMN1; SMN2 (0.73) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL15439647 0.75 CYP1A2 (0.53) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL12495068 0.75 CYP2C19 (1.00) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL15440478 0.74 BCAT1 (0.53) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL3983956 0.74 BCAT1 (0.53) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL15439768 0.74 CYP1A2 (0.72) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL15439186 0.74 CYP1A2 (0.52) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A
SCHEMBL15444581 0.73 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2CYP2C9KMT2A

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-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-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
US-9815795-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2017-11-14 US 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

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 CYP1A2 14/4885CYP2C19 11/4885SMN1; SMN2 3199/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 20/4885CYP2C19 23/4885SMN1; SMN2 3379/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885SMN1; SMN2 3199/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885SMN1; SMN2 3199/4885

“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.