SCHEMBL4906157

SCHEMBL4906157

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN3CCOCC3)cc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KCNH2 Q12809 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.37
PIK3CA P42336 1/20 0.37
NPY1R P25929 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4903788 0.92 GAA (0.40) ALDH1A1GAAKDM4ETSHRMAPT
SCHEMBL4896125 0.92 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAALOX15KDM4E
SCHEMBL4590144 0.90 HSD17B10 (0.39) ALDH1A1SMN1; SMN2ALOX15KDM4EPIK3CA
SCHEMBL14067541 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAKDM4ETSHR
SCHEMBL4904664 0.85 PDE3B (0.40) ALDH1A1KDM4E
SCHEMBL14076857 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAAKDM4ETSHR
SCHEMBL4906678 0.85 KMT2A (0.42) TSHRPIK3CAHPGD
SCHEMBL4907817 0.85 CNR2 (0.40) KDM4EKCNH2TSHRPIK3CAHPGD
SCHEMBL4894901 0.85 KDM4E (0.42) ALDH1A1SMN1; SMN2GAAKDM4EKCNH2
SCHEMBL14067498 0.84 KDM4E (0.37) ALDH1A1KDM4EPOLB

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 ALDH1A1 2874/4885SMN1; SMN2 4800/4885GAA 1159/4885

“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.