SCHEMBL20444062

SCHEMBL20444062

CC(C)c1ccnn(Cc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.48
▸ NPBWR1 P48145 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ HTT P42858 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PPARG P37231 2/20 0.45
▸ NCOA2 Q15596 2/20 0.45
▸ NCOA1 Q15788 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PTGS2 P35354 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
SCHEMBL27772589 0.81 NPBWR1 (0.43) KDM5BNPBWR1ALDH1A1HTTLMNA
SCHEMBL27772593 0.80 NR2E3 (0.44) KDM5BNPBWR1ALDH1A1HTTLMNA
SCHEMBL21721655 0.80 P2RX7 (0.47) KDM5BNPBWR1ALDH1A1LMNAHPGD
SCHEMBL16448707 0.78 RAB9A (0.37) NPBWR1ALDH1A1HTTNPSR1HPGD
SCHEMBL14722888 0.77 NPBWR1 (0.49) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL4256751 0.77 ALDH1A1 (0.47) NPBWR1ALDH1A1SMN1; SMN2KDM4ENR2E3
SCHEMBL38650588 0.75 NPBWR1 (0.37) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL12376650 0.75 BRD4 (0.49) NPBWR1ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL31338870 0.74 ALDH1A1 (0.47) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL20444069 0.73 GAA (0.46) NPBWR1ALDH1A1HTTLMNANPSR1

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-10253000-B2 Pyridazin-3(2H)-one derivatives as monoamine oxidase selective isoform B inhibitors UNIVERSIDADE DE VIGO (ES) 2019-04-09 — — US disclosed
US-20180215718-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS MONOAMINE OXIDASE SELECTIVE ISOFORM B INHIBITORS (As Amended) UNIVERSIDADE DE VIGO (ES) 2018-08-02 — — 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-20180215718-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS MONOAMINE OXIDASE SELECTIVE ISOFORM B INHIBITORS (As Amended) MAOB, MAOA, AOC3 KDM5B 302/4885NPBWR1 2293/4885ALDH1A1 331/4885
US-10253000-B2 Pyridazin-3(2H)-one derivatives as monoamine oxidase selective isoform B inhibitors MAOB, MAOA, AOC3 KDM5B 253/4885NPBWR1 2033/4885ALDH1A1 351/4885

“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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