SCHEMBL2950474

SCHEMBL2950474

COc1cc(C(O)CN2CCOCC2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
PAX8 Q06710 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL3698388 0.80 NPC1 (0.55) KDM4EPAX8MEN1LMNAKMT2A
SCHEMBL2950477 0.77 ALDH1A1 (0.47) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30475844 0.76 ALDH1A1 (0.49) KDM4EPAX8MEN1LMNAKMT2A
SCHEMBL4261494 0.76 KDM4E (0.71) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2950856 0.76 ACHE (0.51) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL11103019 0.75 ADRA1D (0.50) KDM4EADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25384511 0.74 ACHE (0.47) KDM4EPAX8MEN1LMNAKMT2A
SCHEMBL12705234 0.74 MCHR1 (0.41) KDM4EPAX8MEN1LMNAKMT2A
SCHEMBL521236 0.74 HTT (0.66) MEN1KMT2ATSHRHTTALDH1A1
SCHEMBL5754000 0.74 ADRB2 (0.59) KDM4EMEN1LMNAKMT2ATSHR

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 KDM4E 3146/4885PAX8 2916/4885MEN1 256/4885

“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.