SCHEMBL4890486

SCHEMBL4890486

Cn1nc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C[C@@H]3C(=O)N3CCOCC3)CC2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 8/20 0.36
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
PRCP P42785 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4886287 1.00 KMT2A (0.38) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL4891017 1.00 KMT2A (0.38) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL5328234 0.97 KMT2A (0.36) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL4892722 0.95 HRH3 (0.34) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL4891902 0.95 HRH3 (0.34) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL4891898 0.95 HRH3 (0.34) KMT2ATSHRMEN1LMNAHPGD
SCHEMBL4883292 0.91 F2 (0.36) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL4893645 0.91 F2 (0.36) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL4885059 0.91 F2 (0.36) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL4893430 0.89 F2 (0.34) KMT2ATSHRLMNAHPGDALDH1A1

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
US-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa ASTRAZENECA AB (SE) 2008-09-11 US claimed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 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 claimed
WO-2007008142-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
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-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008142-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO 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 (3 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-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa F12, F11, C1R KMT2A 2425/4885TSHR 384/4885MEN1 1358/4885
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 KMT2A 2842/4885TSHR 188/4885MEN1 2133/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 KMT2A 4074/4885TSHR 193/4885MEN1 2045/4885

“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.