SCHEMBL4510657

SCHEMBL4510657

Cc1cccc(NC(=O)N2CCOC(COc3ccccc3Cl)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.42
EPHA2 P29317 3/20 0.41
KDR P35968 3/20 0.41
EPHB4 P54760 1/20 0.41
GRM5 P41594 1/20 0.40
DRD4 P21917 5/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4498562 0.91 EPHA2 (0.44) PDK1EPHA2KDREPHB4GRM5
SCHEMBL4509367 0.89 MEN1 (0.51) PDK1MAPTNPC1RAB9AKMT2A
SCHEMBL4500338 0.89 PDK1 (0.46) PDK1MAPTNPC1RAB9AGRM5
SCHEMBL4490668 0.81 EPHA2 (0.43) PDK1EPHA2KDREPHB4DRD4
SCHEMBL4516917 0.81 EPHA2 (0.44) MAPTKMT2AEPHA2KDREPHB4
SCHEMBL4507600 0.80 PDK1 (0.42) PDK1EPHA2KDREPHB4DRD4
SCHEMBL4505525 0.80 EPHA2 (0.45) EPHA2KDREPHB4GRM5DRD4
Trifluoroacetic Acid SCHEMBL4518310 0.80 PHGDH (0.40) PDK1MAPTKMT2AEPHA2KDR
SCHEMBL4506372 0.79 TRPV1 (0.43) PDK1MAPTKMT2AGRM5DRD4
Hydrochloric Acid SCHEMBL4492473 0.78 PDK1 (0.41) PDK1EPHA2KDREPHB4DRD4

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS PDK1 663/4885MAPT 4022/4885NPC1 57/4885

“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.