SCHEMBL381656

SCHEMBL381656

CN(CCCC(Cc1ccccc1)NC(=O)O)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
PAX8 Q06710 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APP P05067 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLS O94925 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CTSK P43235 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MME P08473 1/20 0.33
NTSR1 P30989 1/20 0.33
CYP3A4 P08684 1/20 0.33
JAK2 O60674 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL381068 0.84 ATM (0.41) HCRTR1ATMTDP1MAPTPAX8
SCHEMBL381396 0.81 MME (0.37) MMECYP3A4
SCHEMBL381657 0.80 L3MBTL1 (0.39) MAPTPAX8ALDH1A1GLSHPGD
SCHEMBL381658 0.79 PAX8 (0.38) TDP1PAX8GLS
SCHEMBL15061419 0.79 PAX8 (0.36) TDP1PAX8
SCHEMBL15061421 0.79 CA14 (0.34) PAX8MEN1KMT2A
SCHEMBL7790318 0.70 PAX8 (0.43) TDP1MAPTPAX8MEN1KMT2A
SCHEMBL9556328 0.68 MAPK1 (0.49) MAPTPAX8ALDH1A1NPSR1CYP3A4
SCHEMBL381069 0.66 F13A1 (0.41) TDP1MAPTPOLBGLS
SCHEMBL21628079 0.66 MME (0.50) MMECYP3A4

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 HCRTR1 340/4885ATM 2591/4885TDP1 4823/4885

“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.