SCHEMBL4575789

SCHEMBL4575789

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.39
GRIN2B Q13224 5/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RORC P51449 6/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
CNR1 P21554 1/20 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
SCHEMBL4576457 0.92 NTRK1 (0.41) NTRK1L3MBTL1RORC
SCHEMBL4905923 0.89 KDM4E (0.40) NTRK1GRIN2BMAPTMEN1KMT2A
SCHEMBL4896142 0.87 CNR1 (0.37) NTRK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4590144 0.86 HSD17B10 (0.39) NTRK1GRIN2BALDH1A1SMN1; SMN2KDM4E
SCHEMBL4591644 0.84 MEN1 (0.39) MEN1KMT2AL3MBTL1
SCHEMBL4576555 0.83 DRD1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5545343 0.83 MEN1 (0.36) GRIN2BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4575647 0.83 GRIN2B (0.34) GRIN2BMEN1KMT2AKDM4E
SCHEMBL4591168 0.81 HCRTR1 (0.33) GRIN2BMAPTALDH1A1MEN1KMT2A
SCHEMBL4591077 0.81 MEN1 (0.39) MEN1KMT2AL3MBTL1

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 NTRK1 4631/4885GRIN2B 4068/4885MAPT 1113/4885

“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.