SCHEMBL21852264

SCHEMBL21852264

CN1C(=S)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
KDM4E B2RXH2 3/20 0.55
APEX1 P27695 2/20 0.55
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
STAT3 P40763 1/20 0.53
ENPP2 Q13822 2/20 0.52
PSMB8 P28062 5/20 0.51
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EIF4E P06730 1/20 0.49
EIF4G1 Q04637 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP2 O95551 1/20 0.49
DNMT1 P26358 1/20 0.48

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
SCHEMBL20339281 1.00 MAPT (0.55) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL20339335 0.91 TDP1 (0.58) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL21852265 0.91 TDP1 (0.58) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL20339342 0.80 TDP1 (0.56) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL20339343 0.80 TDP1 (0.56) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL6233956 0.79 STAT3 (0.67) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL6233959 0.79 STAT3 (0.67) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL23145046 0.79 STAT3 (0.76) MAPTTDP1APEX1ALDH1A1NPSR1
SCHEMBL21852266 0.79 TDP1 (0.71) MAPTTDP1KDM4EAPEX1ALDH1A1
SCHEMBL18301010 0.79 STAT3 (0.76) MAPTTDP1APEX1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 MAPT 4821/4885TDP1 4127/4885KDM4E 1979/4885

“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.