SCHEMBL1269387

SCHEMBL1269387

O=[C]c1nc(Cl)c2c(sc3ccc(S(=O)(=O)Cc4ccccc4)cc32)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
EGLN1 Q9GZT9 3/20 0.40
FEN1 P39748 1/20 0.36
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
DAO P14920 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 2/20 0.30
NAMPT P43490 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1269035 0.81 EGLN1 (0.68) CYP2D6EGLN1TP53MAPT
SCHEMBL1270264 0.79 HDAC1 (0.43) EGLN1HSD17B10KDM4EHPGDKMT2A
SCHEMBL1269941 0.69 EGLN1 (0.45) EGLN1KDM4EKMT2AMEN1NPC1
SCHEMBL1269835 0.69 EGLN1 (0.49) EGLN1PTGDR2NAMPTLMNAMAPT
SCHEMBL1268889 0.68 EGLN1 (0.67) EGLN1
SCHEMBL1270343 0.67 EGLN1 (0.71) EGLN1NAMPT
SCHEMBL6242717 0.66 FEN1 (0.47) CYP2D6FEN1HSD17B10TSHRDAO
SCHEMBL1810684 0.65 EGLN1 (0.37) CYP2D6EGLN1TSHRCYP3A4KDM4E
SCHEMBL1270577 0.63 EGLN1 (0.53) EGLN1
SCHEMBL9360215 0.63 TSHR (0.53) CYP2D6FEN1HSD17B10TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A CYP2D6 453/4885EGLN1 5/4885FEN1 4326/4885

“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.