SCHEMBL4454976

SCHEMBL4454976

COc1ccc(-n2c(N)c(N=O)c(=O)[nH]c2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 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
SCHEMBL4465659 0.91 KMT2A (0.43) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4457582 0.83 KMT2A (0.55) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4492126 0.82 MAPT (0.47) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL15331728 0.79 KMT2A (0.50) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1960095 0.79 MEN1 (0.51) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL4465222 0.78 MAPT (0.43) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4454520 0.77 MAPT (0.47) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL4458183 0.75 GRIN2D (0.38) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL4460460 0.74 MAPT (0.51) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4501815 0.74 MEN1 (0.47) KMT2AALDH1A1MAPTHPGDMEN1

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 3 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 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 KMT2A 2979/4885ALDH1A1 296/4885MAPT 4050/4885

“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.