SCHEMBL1688161

SCHEMBL1688161

CCO[C@@H]1COc2c(-c3c(C)nc(N4CCOCC4)nc3C)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CB P42338 2/20 0.35

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
SCHEMBL15160053 0.89 POLB (0.38) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL1688170 0.82 PIK3CA (0.38) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL15494629 0.80 LMNA (0.37) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL15158632 0.78 MAPT (0.36) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10010044 0.77 PIK3CA (0.39) KDM4EALDH1A1TP53POLBMEN1
SCHEMBL1708185 0.74 ALDH1A1 (0.37) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL1708215 0.73 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL10291211 0.71 MTOR (0.34) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL13517804 0.71 LMNA (0.40) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL3717000 0.71 MAPT (0.34) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
WO-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 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-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KDM4E 2989/4885SMN1; SMN2 3209/4885HSD17B10 229/4885

“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.