SCHEMBL23383871

SCHEMBL23383871

C=C(CCNC(=O)COc1ccc(Cl)cc1)NC(=O)COC1(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPY1R P25929 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
SCHEMBL23383721 0.96 KDM4E (0.47) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23383772 0.90 HDAC1 (0.55) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL23182908 0.88 KDM4E (0.54) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23383771 0.87 KDM4E (0.44) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23332867 0.86 KDM4E (0.41) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23384144 0.85 ATF4 (0.46) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23383999 0.85 ATF4 (0.49) ATF4MEN1KMT2AKDM4ECYP1A2
SCHEMBL23384162 0.84 KMT2A (0.49) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL23182881 0.84 HDAC1 (0.61) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL23182750 0.83 SMN1; SMN2 (0.55) MEN1KMT2AKDM4ECYP1A2CYP2C9

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 ATF4 1/4885MEN1 4354/4885KMT2A 2778/4885

“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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