SCHEMBL21678066

SCHEMBL21678066

CC(C)c1cc(C(=O)NCc2cccc3c2ccn3C)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.43
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
KLKB1 P03952 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ROCK1 Q13464 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
SCHEMBL21678064 0.86 TRPV3 (0.39) SGMS2PLA2G1BATG4BLMNAMAPT
SCHEMBL30779557 0.82 SGMS2 (0.62) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL21644540 0.82 SGMS2 (0.62) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL21644541 0.82 PLA2G1B (0.50) SGMS2PLA2G1BATG4BLMNAMAPT
SCHEMBL30779621 0.82 PLA2G1B (0.50) SGMS2PLA2G1BATG4BLMNAMAPT
SCHEMBL30779518 0.78 LMNA (0.55) SGMS2PLA2G1BATG4BLMNAMAPT
SCHEMBL21644520 0.78 LMNA (0.55) SGMS2PLA2G1BATG4BLMNAMAPT
SCHEMBL30779587 0.77 CFTR (0.46) SGMS2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL21644521 0.77 CFTR (0.46) SGMS2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30779665 0.77 NOTUM (0.49) SGMS2MAPTKMT2AMEN1SMN1; 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-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 (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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 SGMS2 3734/4885PLA2G1B 3830/4885ATG4B 2132/4885

“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.