SCHEMBL19822585

SCHEMBL19822585

O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MET P08581 5/20 0.56
▸ RIPK1 Q13546 5/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ FHIT P49789 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK9 P45984 1/20 0.46

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
SCHEMBL15439768 0.86 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495269 0.84 CYP1A2 (0.76) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495068 0.82 CYP2C19 (1.00) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495017 0.82 SMN1; SMN2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL15444580 0.79 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL12493967 0.78 CYP1A2 (0.63) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL15444643 0.77 SMN1; SMN2 (0.59) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12494753 0.74 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12494749 0.74 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495310 0.74 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A

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 3 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

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-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885CYP2C9 54/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885CYP2C9 54/4885

“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.

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