SCHEMBL23383740

SCHEMBL23383740

C=C(CCNC(=O)COc1ccc(Cl)cc1)NC(=O)C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ ATF4 P18848 6/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL23384168 0.95 ATF4 (0.51) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23332791 0.85 ATF4 (0.60) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23182908 0.84 KDM4E (0.54) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383997 0.84 MAPT (0.53) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383786 0.84 KDM4E (0.47) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383879 0.83 KDM4E (0.47) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383742 0.83 ATF4 (0.50) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383743 0.83 KDM4E (0.47) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383784 0.83 KDM4E (0.47) KDM4EATF4CYP1A2CYP2C9CYP2C19
SCHEMBL23383769 0.82 ATF4 (0.58) KDM4EATF4CYP1A2CYP2C9CYP2C19

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-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-20 — — 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-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES ATF4, EIF2B1, EIF4A1 KDM4E 2283/4885ATF4 1/4885CYP1A2 2327/4885

“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.

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