SCHEMBL4606396

SCHEMBL4606396

CCC(=O)Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL7116281 0.83 TDP1 (0.57) ALDH1A1TDP1SMN1; SMN2MAPTNPC1
SCHEMBL4603881 0.82 KMT2A (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL4605153 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7117023 0.78 SMN1; SMN2 (0.64) ALDH1A1TDP1SMN1; SMN2MAPTKMT2A
SCHEMBL1340946 0.76 L3MBTL1 (0.56) ALDH1A1TDP1SMN1; SMN2MAPTNPC1
SCHEMBL4604552 0.76 MAPT (0.57) ALDH1A1MAPTPOLBL3MBTL1PKM
SCHEMBL10786894 0.75 TDP1 (0.65) ALDH1A1TDP1SMN1; SMN2MAPTNPC1
SCHEMBL4604249 0.75 POLB (0.54) ALDH1A1POLBL3MBTL1PKM
SCHEMBL4603669 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBL3MBTL1PKM
SCHEMBL10786481 0.74 TDP1 (0.61) ALDH1A1TDP1SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 WO 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 ALDH1A1 308/4885TDP1 3738/4885SMN1; SMN2 2803/4885

“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.