SCHEMBL4906357

SCHEMBL4906357

CN1CCN(C(=O)c2cc(F)ccc2Cc2cnc3c(O)c(C(=O)NCCO)c(=O)n(C)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NTRK1 P04629 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 4/20 0.34
MAPK14 Q16539 3/20 0.34
MAPK11 Q15759 2/20 0.34
CYP2D6 P10635 1/20 0.33
CCR3 P51677 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4905923 0.93 KDM4E (0.40) KDM4ENTRK1MEN1KMT2ACNR2
SCHEMBL4895081 0.93 NTRK1 (0.37) KDM4ENTRK1MEN1KMT2AHIF1A
SCHEMBL4906999 0.88 KDM4E (0.45) KDM4EMEN1KMT2AHIF1AMAPK14
SCHEMBL4591218 0.88 KDM4E (0.45) KDM4EMEN1KMT2AHIF1AMAPK14
SCHEMBL4575790 0.88 KDM4E (0.45) KDM4EMEN1KMT2AHIF1AMAPK14
SCHEMBL4576457 0.88 NTRK1 (0.41) NTRK1L3MBTL1
SCHEMBL4909302 0.87 KDM4E (0.46) KDM4EMEN1KMT2AHIF1AMAPK14
SCHEMBL4909162 0.86 KDM4E (0.43) KDM4EMEN1KMT2AHIF1AMAPK14
SCHEMBL4896142 0.85 CNR1 (0.37) NTRK1MEN1KMT2ACNR2ALDH1A1
SCHEMBL4905469 0.85 KDM4E (0.42) KDM4EMEN1KMT2AHIF1AMAPK14

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 KDM4E 1139/4885NTRK1 4631/4885MEN1 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.