SCHEMBL1961032

SCHEMBL1961032

Nc1c(N=O)c(=O)[nH]c(=S)n1CC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.55
▸ TPO P07202 1/20 0.55
▸ ALDH1A1 P00352 12/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL7915949 1.00 MPO (0.55) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL1962177 0.84 MPO (0.59) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL3256669 0.84 MPO (0.59) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL1958096 0.81 ALDH1A1 (0.40) MPOTPOALDH1A1POLBTSHR
SCHEMBL2484816 0.81 ALDH1A1 (0.35) MPOTPOALDH1A1HSD17B10MAPT
SCHEMBL1959309 0.74 MPO (0.56) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL1960671 0.71 MPO (1.00) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL2280952 0.71 MPO (1.00) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL2288062 0.71 MPO (1.00) MPOTPOALDH1A1HSD17B10GAA
SCHEMBL1962737 0.69 SMN1; SMN2 (0.41) MPOALDH1A1GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236951-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2012-08-07 — — US disclosed
EP-1499613-B1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-19 — — EP disclosed
EP-2332541-A1 Use of thioxanthine derivatives as MPO inhibitors AstraZeneca AB (SE) 2011-06-15 — — EP disclosed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 — — US disclosed
US-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 — — US disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 — — 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 (2 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-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX MPO 1/4885TPO 5/4885ALDH1A1 178/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MPO 1/4885TPO 5/4885ALDH1A1 178/4885

“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.

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