SCHEMBL20750987

SCHEMBL20750987

O=C(O)c1nn(CCc2ccc3ccccc3c2)cc(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOX18 P35713 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ SLC7A11 Q9UPY5 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL21201531 0.87 HDAC1 (0.42) SOX18CYP1A2HCAR2HRH3HDAC3
SCHEMBL16578613 0.86 ADORA2A (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16578561 0.81 ALDH1A1 (0.49) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL16578654 0.79 HSP90AA1 (0.47) —
SCHEMBL16578607 0.79 COMT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20750985 0.79 KDM4A (0.49) ADORA3ADORA2AADORA1
SCHEMBL21201521 0.78 TBXAS1 (0.35) HCAR2HDAC1HDAC2HDAC11HDAC8
SCHEMBL17970920 0.76 ADORA2A (0.44) ADORA3ADORA2AADORA1
SCHEMBL16578557 0.75 ALDH1A1 (0.44) ADORA3
SCHEMBL21201492 0.75 ALDH1A1 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364226-B2 Pyridazinone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-07-30 — — US disclosed
EP-3030549-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA INC (US) 2019-02-20 — — 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-10364226-B2 Pyridazinone compounds and uses thereof PDXK, PNPO, PLPBP SOX18 3356/4885CYP1A2 642/4885HCAR2 4284/4885

“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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