SCHEMBL380229

SCHEMBL380229

CN(CCCCNC(=O)O)C(=O)c1ccc(C=O)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ACKR3 P25106 5/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APP P05067 2/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
INSR P06213 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
SCHEMBL380228 0.83 HDAC3 (0.39) KDM4EHDAC1HDAC6CSNK2A2CSNK2B
SCHEMBL14395496 0.81 ITGB3 (0.40) HDAC1HDAC6RXFP1SMN1; SMN2INSR
SCHEMBL381378 0.77 NPC1 (0.35) HDAC1HDAC6ACKR3APPCSNK2A2
SCHEMBL3496100 0.75 HTR2C (0.40) KDM4EGAANPSR1RXFP1HDAC4
SCHEMBL7886030 0.71 ALDH1A1 (0.41) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL381759 0.71 TSHR (0.33) HDAC1HDAC6HDAC2HDAC8APP
SCHEMBL13402912 0.70 MAPK1 (0.65) KDM4ECYP1A2GAANPSR1RXFP1
SCHEMBL380775 0.69 HDAC3 (0.46) KDM4EHDAC1HDAC6HDAC2HDAC8
SCHEMBL381354 0.68 HDAC6 (0.43) KDM4EHDAC1HDAC6HDAC2HDAC8
SCHEMBL14748304 0.68 ALDH1A1 (0.51) KDM4ECYP1A2GAANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
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 KDM4E 1529/4885CYP1A2 1275/4885HDAC1 414/4885

“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.