SCHEMBL23383874

SCHEMBL23383874

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL23383873 0.94 TSHR (0.55) TSHRRECQLKMT2AMEN1HTT
SCHEMBL23383996 0.91 MEN1 (0.50) TSHRRECQLKMT2AMEN1HTT
SCHEMBL23384145 0.90 CYP1A2 (0.47) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23182908 0.89 KDM4E (0.54) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23384172 0.89 MEN1 (0.49) TSHRRECQLKMT2AMEN1HTT
SCHEMBL23383779 0.87 MEN1 (0.50) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23384162 0.86 KMT2A (0.49) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23182881 0.86 HDAC1 (0.61) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23383655 0.86 SMN1; SMN2 (0.47) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL23182750 0.85 SMN1; SMN2 (0.55) TSHRRECQLKMT2AMEN1HTT

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 TSHR 2530/4885RECQL 2834/4885KMT2A 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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