SCHEMBL6102401

SCHEMBL6102401

O=C1c2c(c(O)c3c(ncn3CCO)c2O)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CMA1 P23946 1/20 0.46
HPGD P15428 4/20 0.46
PDE5A O76074 5/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 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
SCHEMBL6101896 0.87 TSHR (0.52) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL5768586 0.81 HPGD (0.58) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL5793864 0.80 PDE5A (0.49) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL5794622 0.78 TSHR (0.54) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL6099226 0.77 CMA1 (0.58) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL6101379 0.76 TSHR (0.51) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL6099645 0.76 HPGD (0.60) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL6101774 0.73 TSHR (0.51) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL6101738 0.73 HPGD (0.57) TSHRPKMKMT2ASMN1; SMN2CMA1
SCHEMBL5769187 0.73 HPGD (0.56) TSHRPKMKMT2ASMN1; SMN2CMA1

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 TSHR 3033/4885PKM 2808/4885KMT2A 1121/4885

“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.