SCHEMBL21644565

SCHEMBL21644565

CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc2c(ccn2C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.49
MET P08581 1/20 0.48
HSP90AB1 P08238 7/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSP90B1 P14625 1/20 0.42
TRAP1 Q12931 1/20 0.42

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
SCHEMBL30779642 0.92 HSP90AA1 (0.49) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644702 0.92 HSP90AA1 (0.49) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644562 0.92 MET (0.58) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644516 0.84 HSP90AA1 (0.48) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL13079180 0.84 MET (0.43) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL30779548 0.83 CYP3A4 (0.55) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644695 0.83 CYP3A4 (0.55) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644714 0.83 MET (0.58) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644572 0.79 MET (0.50) HSP90AA1METHSP90AB1CYP3A4CYP2C9
SCHEMBL21644651 0.78 HSP90AA1 (0.49) HSP90AA1METCYP3A4CYP2C9CYP2B6

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 4 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

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 3/4885MET 887/4885HSP90AB1 1/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885MET 887/4885HSP90AB1 1/4885

“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.