SCHEMBL25980683

SCHEMBL25980683

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CREBBP Q92793 2/20 0.49
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44

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) CREBBPKDM4EALDH1A1GAATSHR
SCHEMBL20763257 0.84 KMT2A (0.54) SMN1; SMN2CREBBPKDM4EALDH1A1TSHR
SCHEMBL8040178 0.83 KDM4E (0.51) USP2HSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL10682349 0.83 TSHR (0.50) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3576104 0.83 USP2 (0.49) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2965222 0.83 USP2 (0.49) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL25980852 0.81 LMNA (0.52) HSD17B10SMN1; SMN2CREBBPKDM4EALDH1A1
SCHEMBL9077842 0.81 KDM4E (0.58) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL29633615 0.80 KDM4E (0.44) SMN1; SMN2CREBBPKDM4EALDH1A1GAA
SCHEMBL25337733 0.79 USP2 (0.73) USP2HSD17B10NPC1RAB9ASMN1; SMN2

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 USP2 4784/4885HSD17B10 4191/4885NPC1 462/4885

“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.