SCHEMBL3022836

SCHEMBL3022836

CC(=O)CC(=O)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ HPGD P15428 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CES2 O00748 1/20 0.57
▸ CES1 P23141 1/20 0.57
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ PARP1 P09874 1/20 0.53

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
SCHEMBL3026885 0.89 MEN1 (0.59) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL29987428 0.88 MEN1 (0.72) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL8071350 0.86 KMT2A (0.50) MEN1KMT2AKDM4ENPC1MAPT
Acetoacetic Acid SCHEMBL27781700 0.84 ACHE (0.49) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL7959814 0.84 CTNNB1 (0.57) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL29668521 0.83 HPGD (0.71) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL4944399 0.83 MEN1 (0.61) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28346776 0.83 HPGD (0.71) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL2056918 0.82 MEN1 (0.56) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL29717180 0.81 PARP1 (0.62) MEN1KMT2AKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 — — EP disclosed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 — — US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 — — US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 — — US disclosed
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 — — US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 — — US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 — — EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 — — US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 — — EP disclosed
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 — — EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 — — WO disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 — — 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MEN1 3252/4885KMT2A 2329/4885KDM4E 642/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B MEN1 3523/4885KMT2A 2720/4885KDM4E 730/4885
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B MEN1 3745/4885KMT2A 2517/4885KDM4E 677/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MEN1 3252/4885KMT2A 2329/4885KDM4E 642/4885

“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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