SCHEMBL4903788

SCHEMBL4903788

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN3CCCCC3)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 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
SCHEMBL4906157 0.92 ALDH1A1 (0.39) GAAALDH1A1KDM4ETSHRMAPT
SCHEMBL14067541 0.89 ALDH1A1 (0.45) GAAALDH1A1KDM4EPDE3BPDE3A
SCHEMBL14067498 0.89 KDM4E (0.37) ALDH1A1KDM4EPDE3BPDE3A
SCHEMBL4904664 0.88 PDE3B (0.40) ALDH1A1KDM4EPDE3BPDE3A
SCHEMBL14076857 0.87 ALDH1A1 (0.43) GAAALDH1A1KDM4EPDE3BPDE3A
SCHEMBL4894901 0.86 KDM4E (0.42) GAAALDH1A1KDM4EPDE3BPDE3A
SCHEMBL4906705 0.86 MEN1 (0.38)
SCHEMBL4590173 0.85 MCHR1 (0.37) TSHR
SCHEMBL4903775 0.85 ALDH1A1 (0.41) GAAALDH1A1KDM4EPDE3BPDE3A
SCHEMBL4927680 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EPDE3BPDE3ATSHR

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 GAA 1159/4885ALDH1A1 2874/4885KDM4E 1139/4885

“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.