SCHEMBL380425

SCHEMBL380425

CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HCAR3 P49019 4/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
CASP6 P55212 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 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
SCHEMBL380426 1.00 KMT2A (0.42) KMT2AMEN1HCAR3ATMTDP1
SCHEMBL380427 0.85 HDAC6 (0.42) KMT2AMEN1HCAR3ATMTDP1
SCHEMBL20761673 0.80 NSD2 (0.53) KMT2AMEN1ATMTDP1ALDH1A1
SCHEMBL30477963 0.80 ALDH1A1 (0.52) KMT2AMEN1HCAR3ATMTDP1
SCHEMBL355589 0.80 ALDH1A1 (0.52) KMT2AMEN1HCAR3ATMTDP1
SCHEMBL380504 0.79 HDAC1 (0.47) KMT2AMEN1TSHRALDH1A1HDAC6
SCHEMBL380461 0.79 CRHBP (0.55) KMT2AMEN1TDP1ALDH1A1BCHE
SCHEMBL1298401 0.76 HSP90AA1 (0.48) HCAR3ATMTDP1CTSKALDH1A1
SCHEMBL379905 0.75 ALDH1A1 (0.43) KMT2ATDP1ALDH1A1HDAC6SMN1; SMN2
SCHEMBL379906 0.75 ALDH1A1 (0.43) KMT2ATDP1ALDH1A1HDAC6SMN1; SMN2

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 KMT2A 211/4885MEN1 1905/4885HCAR3 76/4885

“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.