SCHEMBL380461

SCHEMBL380461

CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 1/20 0.49
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.47
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.45
SRD5A2 P31213 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL3936910 0.90 BCHE (0.50) CRHBPCRHR2BCHEACHETDP1
SCHEMBL5114622 0.83 MAPK1 (0.51) CRHBPCRHR2BCHEACHETDP1
SCHEMBL1429530 0.83 MAPK1 (0.51) CRHBPCRHR2BCHEACHETDP1
SCHEMBL11441268 0.82 ALDH1A1 (0.50) CRHBPCRHR2BCHEACHETDP1
SCHEMBL380130 0.81 TMEM97 (0.72) TMEM97SIGMAR1ALDH1A1MAPK1MEN1
SCHEMBL8333435 0.80 CRHBP (0.55) CRHBPCRHR2TDP1ALDH1A1MAPK1
SCHEMBL380774 0.80 HDAC1 (0.45) ACHEALDH1A1MAPK1
SCHEMBL27884533 0.80 ALDH1A1 (0.57) CRHBPCRHR2TDP1ALDH1A1MAPK1
SCHEMBL379905 0.79 ALDH1A1 (0.43) BCHEACHETDP1ALDH1A1KMT2A
SCHEMBL380426 0.79 KMT2A (0.42) BCHEACHETDP1ALDH1A1MEN1

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 CRHBP 1559/4885CRHR2 169/4885BCHE 1317/4885

“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.