SCHEMBL8217430

SCHEMBL8217430

CCCCOCCNc1cc[nH]c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PTGER4 P35408 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 6/20 0.38
RAB9A P51151 5/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
NUDT1 P36639 1/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1536764 0.88 LMNA (0.44) KMT2APTGER4LMNATSHRRAB9A
SCHEMBL21530644 0.87 TSHR (0.46) KMT2APTGER4LMNATSHRRAB9A
SCHEMBL28896378 0.84 ALDH1A1 (0.40) KMT2APTGER4LMNATSHRRAB9A
SCHEMBL28896250 0.83 PTGER4 (0.38) KMT2APTGER4LMNARAB9AGAA
SCHEMBL4256633 0.82 RAB9A (0.46) KMT2ALMNARAB9AGAAHTT
SCHEMBL1536739 0.81 TSHR (0.45) KMT2APTGER4LMNATSHRRAB9A
Hydrochloric Acid SCHEMBL25312311 0.80 TSHR (0.44) KMT2APTGER4LMNATSHRRAB9A
SCHEMBL28896253 0.78 NUDT1 (0.38) KMT2APTGER4LMNATSHRRAB9A
SCHEMBL18557963 0.77 KMT2A (0.43) KMT2ALMNATSHRRAB9AGAA
SCHEMBL28896547 0.75 CNR2 (0.38) KMT2APTGER4LMNATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor ASTRAZENECA AB (SE) 2009-05-14 US disclosed
WO-2007142577-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE AS MYELOPEROXIDASE INHIBITOR ASTRAZENECA AB (SE) 2007-12-13 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-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor MPO, CAT, GPX1 KMT2A 2251/4885PTGER4 1600/4885LMNA 3540/4885

“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.