SCHEMBL21767266

SCHEMBL21767266

COc1cc(C2CC(=O)Nc3c2cnn3-c2cccc(F)c2)cc(OC)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TP53 P04637 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL8734880 0.92 TP53 (0.52) PKMTDP1L3MBTL1LMNAKMT2A
SCHEMBL25492286 0.88 PKM (0.52) PKMTDP1L3MBTL1TP53TSHR
SCHEMBL25492175 0.77 GAA (0.47) PKML3MBTL1KMT2ASMN1; SMN2TP53
SCHEMBL8736028 0.77 TP53 (0.52) PKMTDP1L3MBTL1LMNAKMT2A
SCHEMBL8736025 0.77 TP53 (0.52) PKMLMNAKMT2ASMN1; SMN2TP53
SCHEMBL8736001 0.77 TP53 (0.56) PKMTDP1L3MBTL1LMNAKMT2A
SCHEMBL25492207 0.76 LMNA (0.52) LMNAKMT2ASMN1; SMN2TP53TSHR
SCHEMBL25492191 0.75 TUBB4A (0.51) PKMTDP1L3MBTL1LMNAKMT2A
SCHEMBL19333096 0.74 SLC2A1 (0.37) PKMKMT2ATP53GAAMAPT
SCHEMBL8734890 0.74 PKM (0.46) PKMTDP1L3MBTL1LMNAKMT2A

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-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2020-02-27 — — 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-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 PKM 297/4885TDP1 2336/4885L3MBTL1 2182/4885

“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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