SCHEMBL4591660

SCHEMBL4591660

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC(C)(C)CO)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK14 Q16539 1/20 0.32
HIF1A Q16665 6/20 0.31
SLC5A1 P13866 2/20 0.31
CNR1 P21554 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC5A2 P31639 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4906859 0.90 KDM4E (0.41) CNR2KMT2AMEN1MAPK14HIF1A
SCHEMBL4897905 0.90 ALDH1A1 (0.38) CNR2KMT2AMEN1MAPK14SLC5A1
SCHEMBL14067525 0.90 MEN1 (0.37) CNR2KMT2AMEN1HIF1A
SCHEMBL4575637 0.89 MPO (0.35) KMT2AMEN1HIF1AGRIN1GRIN2B
SCHEMBL4906027 0.88 MEN1 (0.36) CNR2KMT2AMEN1HIF1AGRIN1
SCHEMBL4576606 0.84 MEN1 (0.37) KMT2AMEN1HIF1AGRIN1GRIN2B
SCHEMBL4576187 0.84 GRIN2B (0.36) HIF1AGRIN1GRIN2B
SCHEMBL5545343 0.81 MEN1 (0.36) KMT2AMEN1MAPK14HIF1AGRIN2B
SCHEMBL4591362 0.81 MEN1 (0.34) KMT2AMEN1HIF1AGRIN2BHPGD
SCHEMBL4906937 0.80 KDM4E (0.42) KMT2AMEN1MAPK14HIF1ANPC1

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 3 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 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 CNR2 4815/4885KMT2A 682/4885MEN1 4841/4885

“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.