SCHEMBL1640646

SCHEMBL1640646

CS(=O)(=O)c1ccc(N2N=C(c3ccc4c(c3)CCN(C(=O)C(F)(F)F)CC4)CCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
GAA P10253 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
PTGS2 P35354 6/20 0.36
PTGS1 P23219 1/20 0.36
KCNA1 Q09470 2/20 0.35
KCNAB1 Q14722 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1639563 0.80 PDE4A (0.50) ESR1ESR2PDE4APDE4BPDE4C
SCHEMBL1638979 0.77 CA1 (0.57) CA12CA1CA2CA9ESR1
SCHEMBL1639554 0.77 ESR1 (0.44) ESR1ESR2PDE4APDE4BPDE4C
SCHEMBL8277232 0.71 ESR1 (0.65) CA12CA1CA2CA9ESR1
SCHEMBL3893392 0.70 ESR1 (0.55) CA12CA1CA2CA9ESR1
SCHEMBL3899192 0.69 ESR1 (0.53) CA12CA1CA2CA9ESR1
SCHEMBL6365411 0.65 DRD2 (0.69) KCNA1KCNAB1CYP2C9
SCHEMBL2309023 0.65 ESR1 (0.85) CA1CA2CA9ESR1ESR2
SCHEMBL1639003 0.65 ESR1 (0.46) CA1CA2ESR1ESR2
SCHEMBL373697 0.64 ESR2 (0.83) CA1CA2CA9ESR1ESR2

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
EP-2328586-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2011-06-08 EP disclosed
US-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-04-28 US disclosed
WO-2009142732-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-11-26 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 (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-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 CA12 4497/4885CA1 3303/4885CA2 2119/4885

“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.