SCHEMBL4456847

SCHEMBL4456847

COc1ccccc1-n1c(=S)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.46
TPO P07202 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
PNP P00491 1/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40

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
SCHEMBL4468853 0.81 MPO (0.49) MPOTPOALDH1A1KDM4EPNP
SCHEMBL4473827 0.78 KDM4E (0.51) MPOTPOALDH1A1KDM4EMEN1
SCHEMBL4453819 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EAPOBEC3GMEN1KMT2A
SCHEMBL4338497 0.74 MPO (0.56) MPOTPOMEN1KMT2AMAPT
SCHEMBL4454520 0.72 MAPT (0.47) ALDH1A1KDM4EAPOBEC3GMEN1KMT2A
SCHEMBL4498185 0.70 ALDH1A1 (0.68) MPOALDH1A1KDM4EAPOBEC3GMEN1
SCHEMBL4321197 0.70 MPO (0.51) MPOTPOALDH1A1KDM4EAPOBEC3G
SCHEMBL4458262 0.70 ALDH1A1 (0.46) MPOTPOALDH1A1KMT2APNP
SCHEMBL4455014 0.70 PDE4A (0.54) MPOTPOALDH1A1KDM4EMEN1
SCHEMBL4460714 0.69 MPO (0.53) MPOTPOALDH1A1MEN1KMT2A

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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US claimed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 8/4885ALDH1A1 296/4885

“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.