SCHEMBL4576555

SCHEMBL4576555

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 6/20 0.38
HTR2C P28335 5/20 0.38
CNR2 P34972 5/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR2B P41595 1/20 0.37
AURKB Q96GD4 1/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4907461 0.89 PIK3CA (0.41) DRD1DRD4DRD5HPGDHTR2A
SCHEMBL4898690 0.89 CNR2 (0.40) DRD1DRD4DRD5KDM4EHPGD
SCHEMBL4590144 0.87 HSD17B10 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4575589 0.85 HRH1 (0.39) DRD1DRD4DRD5KDM4EALDH1A1
SCHEMBL5546555 0.84 HDAC3 (0.38) MEN1KMT2A
SCHEMBL4575789 0.83 NTRK1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4591069 0.83 MEN1 (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL4591140 0.82 HIF1A (0.37) MEN1KMT2A
SCHEMBL4907019 0.81 CASP7 (0.36) DRD1DRD4DRD5KDM4EALDH1A1
SCHEMBL4576446 0.81 GRIN2B (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 DRD1 3256/4885DRD4 2201/4885DRD5 2182/4885

“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.