SCHEMBL4892722

SCHEMBL4892722

Cn1nc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C[C@H]3C(=O)N3CCC3)CC2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 4/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
F10 P00742 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL4891902 1.00 HRH3 (0.34) HRH3TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4891898 1.00 HRH3 (0.34) HRH3TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4886287 0.95 KMT2A (0.38) TSHRSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4890486 0.95 KMT2A (0.38) TSHRSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4891017 0.95 KMT2A (0.38) TSHRSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL5328234 0.92 KMT2A (0.36) TSHRSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4885059 0.92 F2 (0.36) HRH3SMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4883292 0.92 F2 (0.36) HRH3SMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4893645 0.92 F2 (0.36) HRH3SMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4893430 0.90 F2 (0.34) HRH3TSHRSMN1; SMN2HSD17B10ALDH1A1

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 11 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-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
WO-2007008142-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-2007008146-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

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 HRH3 88/4885TSHR 384/4885SMN1; SMN2 4287/4885
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 HRH3 169/4885TSHR 188/4885SMN1; SMN2 4344/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 HRH3 31/4885TSHR 193/4885SMN1; SMN2 3963/4885

“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.