SCHEMBL4603311

SCHEMBL4603311

CCC(=O)Nc1ccc(Sc2ccccc2N)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 5/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 1/20 0.44
MAPK10 P53779 1/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4605153 0.83 ALDH1A1 (0.50) ALDH1A1POLBLMNAKMT2AKDM4E
SCHEMBL7119473 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL7620547 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL4605989 0.76 GAA (0.51) ALDH1A1MAPK1LMNAKMT2AKDM4E
SCHEMBL4603881 0.76 KMT2A (0.46) ALDH1A1MAPK1LMNAKMT2AKDM4E
SCHEMBL4604248 0.73 CA12 (0.57) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL9958465 0.73 KMT2A (0.81) ALDH1A1POLBLMNAKMT2AKDM4E
SCHEMBL4617063 0.73 ALDH1A1 (0.41) ALDH1A1POLBLMNAKMT2AKDM4E
SCHEMBL4605157 0.72 L3MBTL1 (0.55) ALDH1A1POLBLMNAKMT2AKDM4E
SCHEMBL4604809 0.72 ALDH1A1 (0.46) ALDH1A1POLBLMNAKMT2AKDM4E

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 308/4885MAPK1 1616/4885POLB 2352/4885

“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.