SCHEMBL23383772

SCHEMBL23383772

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.55
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL23383871 0.90 ATF4 (0.47) HDAC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL23383721 0.86 KDM4E (0.47) HDAC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL23182881 0.83 HDAC1 (0.61) HDAC1KMT2ASMN1; SMN2LMNAPKM
SCHEMBL20999237 0.81 HPGD (0.59) HDAC1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL23332867 0.78 KDM4E (0.41) HDAC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL23383771 0.77 KDM4E (0.44) HDAC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL20999111 0.77 HDAC1 (0.53) HDAC1KMT2AALDH1A1LMNAPKM
SCHEMBL23182908 0.76 KDM4E (0.54) HDAC1KMT2ASMN1; SMN2PKMMEN1
SCHEMBL23384144 0.76 ATF4 (0.46) HDAC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL20999332 0.76 HPGD (0.64) HDAC1KMT2AALDH1A1POLBSMN1; 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-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 HDAC1 752/4885KMT2A 2778/4885ALDH1A1 1890/4885

“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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