SCHEMBL379905

SCHEMBL379905

CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TNF P01375 1/20 0.43
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL379906 1.00 ALDH1A1 (0.43) ALDH1A1HTTTP53L3MBTL1TNF
SCHEMBL379907 0.85 HDAC6 (0.42) ALDH1A1HTTTP53L3MBTL1TNF
SCHEMBL381330 0.80 HDAC6 (0.42) ALDH1A1CYP3A4HDAC6MAPTGAA
SCHEMBL1781383 0.80 L3MBTL1 (0.65) ALDH1A1HTTTP53L3MBTL1CYP3A4
SCHEMBL380461 0.79 CRHBP (0.55) ALDH1A1L3MBTL1TDP1KMT2ABCHE
SCHEMBL16115685 0.77 L3MBTL1 (0.50) ALDH1A1HTTTP53L3MBTL1CYP3A4
SCHEMBL17512318 0.75 ALDH1A1 (0.46) ALDH1A1HTTTP53L3MBTL1CYP3A4
SCHEMBL17512317 0.75 ALDH1A1 (0.46) ALDH1A1HTTTP53L3MBTL1CYP3A4
SCHEMBL380426 0.75 KMT2A (0.42) ALDH1A1TDP1KMT2AHDAC6BCHE
SCHEMBL380425 0.75 KMT2A (0.42) ALDH1A1TDP1KMT2AHDAC6BCHE

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 ALDH1A1 2036/4885HTT 4130/4885TP53 4361/4885

“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.