SCHEMBL21644516

SCHEMBL21644516

CC(C)c1cc(C(=O)N(C)c2ccc3c(ccn3C)c2)c(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 1/20 0.48
HSP90AB1 P08238 9/20 0.45
HSP90B1 P14625 1/20 0.45
TRAP1 Q12931 1/20 0.45
MET P08581 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 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
SCHEMBL21644511 0.91 HSP90AA1 (0.48) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL30779532 0.91 HSP90AA1 (0.48) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL21644562 0.86 MET (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1MET
SCHEMBL21644565 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1MET
SCHEMBL21644683 0.82 HSP90AA1 (0.47) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL21644678 0.81 MET (0.50) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL13079180 0.80 MET (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1MET
SCHEMBL19236344 0.80 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1MET
SCHEMBL30779610 0.79 HSP90AA1 (0.41) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL21644523 0.79 HSP90AA1 (0.41) HSP90AA1HDAC3HDAC1HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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 HSP90AA1 3/4885HDAC3 1288/4885HDAC1 319/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HDAC3 1288/4885HDAC1 319/4885

“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.