SCHEMBL14818692

SCHEMBL14818692

COc1ncnc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RET P07949 1/20 0.30
KIF5B P33176 1/20 0.30
KDR P35968 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SMPD3 Q9NY59 2/20 0.30

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
SCHEMBL30559672 1.00 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL14326156 0.79 PDPK1 (0.39) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL2059421 0.77
SCHEMBL12051534 0.76 PDPK1 (0.41) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL30559714 0.76 ALDH1A1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL23717803 0.73 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL4097046 0.73 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL30636105 0.73 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL28496069 0.73 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL12348218 0.73 TDP1 (0.34) MAPT

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
CN-118146056-A Catalytic synthesis method of nitrogen-containing aromatic heterocyclic chlorinated organic compound 河北威远生物化工有限公司 2024-06-07 CN disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 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 (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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 PDPK1 4788/4885HSD17B10 2332/4885MAPT 2042/4885

“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.