SCHEMBL379907

SCHEMBL379907

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TNF P01375 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
GSTO1 P78417 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL379905 0.85 ALDH1A1 (0.43) HDAC6NPC1RAB9ATNFALDH1A1
SCHEMBL379906 0.85 ALDH1A1 (0.43) HDAC6NPC1RAB9ATNFALDH1A1
SCHEMBL768201 0.81 HDAC6 (0.44) HDAC6TMEM97SIGMAR1HTT
SCHEMBL380427 0.78 HDAC6 (0.42) HDAC6NPC1RAB9AALDH1A1TMEM97
SCHEMBL17512317 0.76 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL17512318 0.76 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1781383 0.75 L3MBTL1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL21815181 0.73 MAPT (0.61) HDAC6NPC1RAB9AALDH1A1TMEM97
SCHEMBL16115685 0.73 L3MBTL1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL22123173 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 HDAC6 407/4885NPC1 1488/4885RAB9A 3525/4885

“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.