SCHEMBL16293237

SCHEMBL16293237

CC(=O)N(C)CCCn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
FDPS P14324 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
DAO P14920 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
SCHEMBL1457114 0.79 BPTF (0.39) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21996470 0.76 THRB (0.43) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12863692 0.75 THRB (0.42) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31283564 0.72 ALDH1A1 (0.46) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7100687 0.72 DAO (0.43) THRBTSHRFDPSALDH1A1TLR8
SCHEMBL25969616 0.72 CPB2 (0.38) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1456697 0.71 ALDH1A1 (0.38) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL796651 0.70
SCHEMBL3489062 0.70 TBXAS1 (0.42) LMNAKMT2ATHRBTSHRFDPS
SCHEMBL31720658 0.70 TSHR (0.37) LMNAKMT2ANPC1RAB9ASMN1; SMN2

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-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A LMNA 2555/4885KMT2A 41/4885NPC1 3547/4885

“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.