SCHEMBL1616188

SCHEMBL1616188

CC(=O)[N]c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL10885188 0.75 GAA (0.46) GAAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL5700249 0.74 HTR3E (0.47) GAAL3MBTL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL8631471 0.74 NOS3 (0.41) HSD17B10SMN1; SMN2GRIN2DGRIN3BGRIN1
Acetone SCHEMBL28165614 0.73 CYP3A4 (0.62) GAAL3MBTL1ALDH1A1HSD17B10CFTR
SCHEMBL12568931 0.73 GAA (0.54) GAAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL16627976 0.71 GAA (0.42) GAAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL834358 0.71 ALDH1A1 (0.46) L3MBTL1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL6364024 0.71 LMNA (0.46) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL8748134 0.71 CYP3A4 (0.59) GAAL3MBTL1ALDH1A1HSD17B10CFTR
Acetic Acid SCHEMBL9167204 0.71 CYP3A4 (0.59) GAAL3MBTL1ALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP claimed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US claimed
EP-1541549-A1 Tricyclic hydroxamate and benzaminde derivatives, compositions and methods Exonhit Therapeutics S.A. (FR) 2005-06-15 EP claimed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
EP-1692097-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS Exonhit Therapeutics SA (FR) 2006-08-23 EP disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 WO disclosed
EP-1541549-A1 Tricyclic hydroxamate and benzaminde derivatives, compositions and methods Exonhit Therapeutics S.A. (FR) 2005-06-15 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-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 GAA 128/4885L3MBTL1 3787/4885RAB9A 4425/4885

“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.