SCHEMBL4605904

SCHEMBL4605904

CCC(=O)Nc1ccc(C=Cc2ccccc2N2CCOCC2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MYC P01106 1/20 0.43
KCNQ2 O43526 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4605887 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4604576 0.90 NPSR1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL4604569 0.90 NPSR1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL4603292 0.89 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL4603286 0.89 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL4604654 0.79 ADORA3 (0.54) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4604659 0.79 ADORA3 (0.54) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4606305 0.78 KCNA3 (0.46) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4606313 0.78 KCNA3 (0.46) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4603441 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19

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 SMN1; SMN2 2803/4885ALDH1A1 308/4885CYP1A2 259/4885

“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.