SCHEMBL5456441

SCHEMBL5456441

[CH2][C@H]1C[C@@H](n2ccc3c(NCc4ccccc4OC)ncnc32)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
LMNA P02545 5/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 4/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 6/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
HIF1A Q16665 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CYP2C9 P11712 3/20 0.46

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
SCHEMBL17866045 0.86 LMNA (0.43) KDM4ELMNAMAPK1ALDH1A1AURKA
SCHEMBL17866073 0.85 AURKA (0.45) AURKARPS6KB1ADORA3ADORA2AADORA1
SCHEMBL27760176 0.84 KDM4E (0.53) KDM4ELMNATP53MAPTMAPK1
SCHEMBL17865941 0.84 NAE1 (0.49) KDM4ELMNATP53MAPTMAPK1
SCHEMBL17865943 0.84 KDM4E (0.47) KDM4ELMNATP53MAPTMAPK1
SCHEMBL17866057 0.83 AURKA (0.45) KDM4ELMNAAURKARPS6KB1EGFR
SCHEMBL191796 0.82 NAE1 (0.63) KDM4ELMNATP53MAPTAURKA
SCHEMBL21283384 0.79 UBA6 (0.46) KDM4ELMNATP53MAPTMAPK1
SCHEMBL12983619 0.79 POLB (0.43) POLBADORA3ADORA2AADORA1UBA6
SCHEMBL17866047 0.79 PPARG (0.42) LMNATP53POLBRXFP1ADORA3

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 KDM4E 1307/4885LMNA 2462/4885TP53 631/4885

“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.