SCHEMBL21644541

SCHEMBL21644541

CC(C)c1cc(C(=O)NCc2ccccc2F)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
BRD4 O60885 1/20 0.45
KCNA5 P22460 1/20 0.45
PPARA Q07869 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL30779621 1.00 PLA2G1B (0.50) PLA2G1BATG4BLMNAMAPTL3MBTL1
SCHEMBL21644540 0.88 SGMS2 (0.62) LMNAMAPTL3MBTL1NPC1SGMS2
SCHEMBL30779557 0.88 SGMS2 (0.62) LMNAMAPTL3MBTL1NPC1SGMS2
SCHEMBL21678110 0.86 LMNA (0.68) PLA2G1BATG4BLMNAMAPTL3MBTL1
SCHEMBL21644520 0.85 LMNA (0.55) PLA2G1BATG4BLMNAMAPTL3MBTL1
SCHEMBL28414821 0.85 LMNA (0.53) PLA2G1BATG4BLMNAMAPTL3MBTL1
SCHEMBL30779518 0.85 LMNA (0.55) PLA2G1BATG4BLMNAMAPTL3MBTL1
SCHEMBL30779640 0.83 NPC1 (0.57) LMNAL3MBTL1NPC1SGMS2ALDH1A1
SCHEMBL21644594 0.83 NPC1 (0.57) LMNAL3MBTL1NPC1SGMS2ALDH1A1
SCHEMBL25100419 0.82 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 PLA2G1B 3830/4885ATG4B 2132/4885LMNA 3431/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 PLA2G1B 3830/4885ATG4B 2132/4885LMNA 3431/4885

“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.