SCHEMBL4891053

SCHEMBL4891053

O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.72
LSS P48449 3/20 0.67
CHRM1 P11229 9/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1387210 0.85 F10 (0.82) F10LSSCHRM1USP2LMNA
SCHEMBL6794182 0.84 F10 (0.80) F10LSSCHRM1USP2LMNA
SCHEMBL4893575 0.84 F10 (0.68) F10LSSCHRM1HTTSMN1; SMN2
SCHEMBL1387192 0.83 F10 (1.00) F10LSSCHRM1USP2LMNA
SCHEMBL1387358 0.83 LSS (0.81) F10LSSCHRM1USP2LMNA
SCHEMBL6794178 0.83 F10 (0.79) F10LSSCHRM1USP2LMNA
SCHEMBL6786578 0.83 F10 (0.94) F10LSSCHRM1USP2LMNA
SCHEMBL6183851 0.82 F10 (0.76) F10LSSCHRM1USP2LMNA
SCHEMBL6798769 0.82 F10 (0.76) F10LSSCHRM1USP2LMNA
SCHEMBL6792931 0.82 F10 (0.76) F10LSSCHRM1USP2LMNA

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.