SCHEMBL6847249

SCHEMBL6847249

O=C(O)CC[C@@H](O)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TBXAS1 P24557 8/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.35
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
TET3 O43151 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
TBXA2R P21731 2/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34

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
SCHEMBL7973738 0.77 KDM4E (0.40) KDM4ENAPRTHCAR2LMNA
SCHEMBL11398630 0.76 KDM4E (0.37) KDM4ENAPRTHCAR2TBXAS1LMNA
SCHEMBL11832244 0.74 HDAC4 (0.44) TBXAS1LMNAHPGDTBXA2R
SCHEMBL5706462 0.74 KDM4E (0.34) KDM4E
SCHEMBL10714528 0.74 KDM4E (0.39) KDM4ENAPRTHCAR2LMNAADORA3
SCHEMBL27257535 0.72 KDM4E (0.37) KDM4EHPGD
SCHEMBL6281197 0.72 KDM4E (0.37) KDM4ENAPRTHCAR2LMNAADORA3
SCHEMBL11390614 0.72 KDM4E (0.34) KDM4ENAPRTHCAR2LMNA
SCHEMBL8766799 0.72 TBXAS1 (0.38) KDM4ENAPRTHCAR2TBXAS1LMNA
SCHEMBL25227677 0.72 KDM4E (0.38) KDM4ENAPRTHCAR2LMNAADORA3

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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 KDM4E 775/4885NAPRT 408/4885HCAR2 2213/4885

“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.