SCHEMBL25980852

SCHEMBL25980852

CCOc1cc(C(=O)OC)cc(Br)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
TSHR P16473 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 1/20 0.45
CREBBP Q92793 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL29633582 0.89 KDM4E (0.51) LMNATSHRL3MBTL1KMT2AMEN1
SCHEMBL20763257 0.84 KMT2A (0.54) LMNATSHRMAPTL3MBTL1KMT2A
SCHEMBL16069743 0.83 CNR2 (0.53) LMNATSHRMAPTL3MBTL1KMT2A
SCHEMBL731013 0.83 LMNA (0.50) LMNANCOA1NCOA3TSHRMAPT
SCHEMBL16049802 0.83 LMNA (0.51) LMNANCOA1NCOA3TSHRMAPT
SCHEMBL25980683 0.81 USP2 (0.50) LMNANCOA1NCOA3TSHRMAPT
SCHEMBL1070461 0.81 CA1 (0.54) LMNATSHRL3MBTL1KMT2AMEN1
SCHEMBL29633615 0.80 KDM4E (0.44) LMNATSHRL3MBTL1KMT2AMEN1
SCHEMBL732996 0.79 TSHR (0.50) LMNANCOA1NCOA3TSHRMAPT
SCHEMBL6601501 0.79 MAPT (0.59) LMNANCOA1NCOA3TSHRMAPT

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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 LMNA 3959/4885NCOA1 1210/4885NCOA3 1575/4885

“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.