SCHEMBL381068

SCHEMBL381068

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SCD O00767 1/20 0.39
HCRTR1 O43613 1/20 0.38
APP P05067 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
GLS O94925 1/20 0.37
CTSK P43235 3/20 0.37
CTSS P25774 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTPRB P23467 1/20 0.36

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
SCHEMBL381656 0.84 HCRTR1 (0.38) ATMHCRTR1APPMEN1KMT2A
SCHEMBL381396 0.81 MME (0.37) CYP3A4
SCHEMBL381069 0.80 F13A1 (0.41) SCDTDP1MAPTHDAC1GLS
SCHEMBL15061243 0.80 NAMPT (0.40) SCDHDAC3HDAC8GLS
SCHEMBL381070 0.80 GLS (0.40) SCDHDAC3HDAC4HDAC1HDAC8
SCHEMBL15061244 0.79 HDAC3 (0.41) KDM4EMAPTHDAC3HDAC4HDAC1
SCHEMBL20934803 0.72 NAMPT (0.47) HDAC3HDAC8
SCHEMBL29929054 0.69 P4HTM (0.54) KDM4E
SCHEMBL1734048 0.69 P4HTM (0.54) KDM4E
SCHEMBL15159951 0.69 ATM (0.73) ATMAPPCTSKCTSSCYP3A4

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 ATM 2591/4885SCD 3646/4885HCRTR1 340/4885

“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.