SCHEMBL21644520

SCHEMBL21644520

CC(C)c1cc(C(=O)NCc2cccc(F)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SGMS2 Q8NHU3 1/20 0.51
LRRK2 Q5S007 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
PPARA Q07869 1/20 0.45
SRC P12931 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
SCN9A Q15858 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL30779518 1.00 LMNA (0.55) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL21678110 0.91 LMNA (0.68) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL21644540 0.90 SGMS2 (0.62) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL30779557 0.90 SGMS2 (0.62) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL21644541 0.85 PLA2G1B (0.50) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL30779621 0.85 PLA2G1B (0.50) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL30779564 0.85 LRRK2 (0.66) MAPTL3MBTL1SGMS2LRRK2
SCHEMBL21644693 0.85 LRRK2 (0.66) MAPTL3MBTL1SGMS2LRRK2
SCHEMBL28409463 0.85 LMNA (0.57) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL25100419 0.84 SGMS2 (0.55) LMNAMAPTL3MBTL1SGMS2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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 (2 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 LMNA 3431/4885MAPT 1750/4885L3MBTL1 3195/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 LMNA 3431/4885MAPT 1750/4885L3MBTL1 3195/4885

“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.