SCHEMBL4893575

SCHEMBL4893575

O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.68
LSS P48449 3/20 0.64
CHRM1 P11229 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
CNR1 P21554 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL4884832 0.90 F10 (0.55) F10LSSSMN1; SMN2HTTCNR1
SCHEMBL4890828 0.89 F10 (0.54) F10LSSCHRM1SMN1; SMN2HTT
SCHEMBL4890801 0.88 F10 (0.53) F10LSSSMN1; SMN2HTTCNR1
SCHEMBL5321112 0.87 F10 (0.52) F10LSSCHRM1SMN1; SMN2HTT
SCHEMBL4884830 0.84 F10 (0.49) F10LSSSMN1; SMN2CNR1TP53
SCHEMBL4891053 0.84 F10 (0.72) F10LSSCHRM1SMN1; SMN2HTT
SCHEMBL4890856 0.83 F10 (0.48) F10LSSSMN1; SMN2HTT
SCHEMBL4881800 0.82 SMO (0.49) F10LSSSMN1; SMN2CNR1TP53
SCHEMBL6183851 0.81 F10 (0.76) F10LSSCHRM1SMN1; SMN2HTT
SCHEMBL1387192 0.81 F10 (1.00) F10LSSCHRM1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US claimed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy CYC1, F2, CBR1 F10 27/4885LSS 2973/4885CHRM1 50/4885

“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.