SCHEMBL5873977

SCHEMBL5873977

COC(=O)c1ccc(-c2ccc(NC=C3C(=O)Nc4ccc5ncccc5c43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
TNKS O95271 1/20 0.38
PDPK1 O15530 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
SRC P12931 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL5873975 1.00 ALOX15 (0.40) ALOX15HTTMAPK1TNKSPDPK1
SCHEMBL5873914 0.97 ALOX15 (0.42) ALOX15HTTMAPK1TNKSPDPK1
SCHEMBL5873910 0.97 ALOX15 (0.42) ALOX15HTTMAPK1TNKSPDPK1
SCHEMBL5182480 0.93 PSEN1 (0.39) ALOX15HTTMAPK1PDPK1PSEN1
SCHEMBL5182473 0.93 PSEN1 (0.39) ALOX15HTTMAPK1PDPK1PSEN1
SCHEMBL5873772 0.86 RAB9A (0.43) MAPK1PDPK1CHEK1KDM4EALDH1A1
SCHEMBL5873767 0.86 RAB9A (0.43) MAPK1PDPK1CHEK1KDM4EALDH1A1
SCHEMBL5419216 0.86 TLK2 (0.40) ALOX15HTTPDPK1
SCHEMBL5419218 0.86 TLK2 (0.40) ALOX15HTTPDPK1
SCHEMBL5873900 0.85 CAMKK2 (0.38) MAPK1PDPK1CHEK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 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-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 ALOX15 4878/4885HTT 4038/4885MAPK1 141/4885

“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.