SCHEMBL4603446

SCHEMBL4603446

O=C(CNc1cccc(C(=O)O)c1)CSc1ccccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
APAF1 O14727 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 1/20 0.46
KMO O15229 1/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SCN9A Q15858 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
AKT1 P31749 1/20 0.42
CASR P41180 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4605500 0.90 AKR1C3 (0.48) POLBMAPTKDM4ETDP1MEN1
SCHEMBL4606040 0.88 AKR1C3 (0.46) POLBMEN1KMT2AAKR1C3GAA
SCHEMBL4605194 0.80 ALDH1A1 (0.50) POLBMAPTKDM4ETDP1APAF1
SCHEMBL4604742 0.78 KDM4E (0.46) POLBMAPTKDM4ETDP1APAF1
SCHEMBL4617066 0.75 AKR1C3 (0.52) MAPTKDM4EMEN1KMT2AAKR1C3
SCHEMBL9729225 0.71 POLB (0.67) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL4605279 0.71 KMO (0.44) POLBMAPTKDM4ETDP1APAF1
SCHEMBL4606307 0.69 AKR1C3 (0.48) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL5744534 0.69 EPHX2 (0.61) MAPTKDM4EMEN1KMT2AKMO
SCHEMBL4606142 0.68 AKR1C3 (0.46) MAPTKMT2AAKR1C3GAAALDH1A1

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 POLB 2352/4885MAPT 3698/4885KDM4E 2898/4885

“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.