SCHEMBL381397

SCHEMBL381397

CN(CCCN(C)C(=O)c1ccc(CO)cn1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
P4HTM Q9NXG6 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CNR1 P21554 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL380665 0.87 HDAC1 (0.48) HDAC1P4HTMF13A1TGM2TGM1
SCHEMBL380752 0.84 HDAC1 (0.48) HDAC1ALDH1A1RAB9ANPC1TDP1
SCHEMBL15061458 0.82 MEN1 (0.41) HDAC1P4HTMALDH1A1CNR1RAB9A
SCHEMBL381657 0.81 L3MBTL1 (0.39) HDAC1P4HTMF13A1TGM2TGM1
SCHEMBL381398 0.80 CNR1 (0.41) ALDH1A1CNR1RAB9ANPC1TDP1
SCHEMBL381069 0.79 F13A1 (0.41) HDAC1F13A1TGM2TGM1POLB
SCHEMBL1897393 0.76 CCR6 (0.51) HDAC1F13A1TGM2TGM1CCR6
SCHEMBL25526046 0.75 ALDH1A1 (0.49) HDAC1F13A1TGM2TGM1CCR6
SCHEMBL19346032 0.75 CCR6 (0.53) HDAC1F13A1TGM2TGM1CCR6
SCHEMBL1225570 0.75 ALDH1A1 (0.49) HDAC1F13A1TGM2TGM1CCR6

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC1 414/4885P4HTM 2469/4885F13A1 1660/4885

“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.