SCHEMBL24970169

SCHEMBL24970169

CCOC(=O)C1=C(N)CC(c2cccc3cccc(Cl)c23)OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 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
SCHEMBL24970503 0.88 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL24970991 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL23481774 0.77 TSHR (0.37) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL23481470 0.77 TSHR (0.37) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL29568859 0.75 TSHR (0.41) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL24308857 0.75 TSHR (0.41) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL24308859 0.74 TSHR (0.38) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL24970168 0.74 TSHR (0.38) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL29568442 0.74 TSHR (0.38) ALDH1A1KDM4EL3MBTL1MAPK1CYP2C9
SCHEMBL23481654 0.68

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-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 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-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 2350/4885KDM4E 3845/4885L3MBTL1 590/4885

“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.