SCHEMBL4890801

SCHEMBL4890801

O=C(C1CCN(c2cc[n+]([O-])cc2)CC1)N1CCN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
LSS P48449 2/20 0.48
CNR1 P21554 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 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
SCHEMBL4893575 0.88 F10 (0.68) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL4884830 0.83 F10 (0.49) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL4890828 0.83 F10 (0.54) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL4884832 0.82 F10 (0.55) F10LSSCNR1SMN1; SMN2NPSR1
SCHEMBL4890856 0.81 F10 (0.48) F10LSSSMN1; SMN2LMNAL3MBTL1
SCHEMBL4881800 0.80 SMO (0.49) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL4885156 0.79 F10 (0.46) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL4893503 0.79 LSS (0.47) F10LSSCNR1SMN1; SMN2TP53
SCHEMBL5321112 0.76 F10 (0.52) F10LSSCNR1SMN1; SMN2NPSR1
SCHEMBL4891053 0.72 F10 (0.72) F10LSSSMN1; SMN2LMNAHTT

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-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
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

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 2973/4885CNR1 10/4885

“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.