SCHEMBL21644593

SCHEMBL21644593

CC(C)c1cc(C(=O)N(C)c2cccc3ncccc23)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2B6 P20813 1/20 0.47
HSP90AA1 P07900 12/20 0.46
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 1/20 0.41
HSP90AB1 P08238 1/20 0.38
PDK1 Q15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A5 P20815 1/20 0.37

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
SCHEMBL21644613 0.86 MET (0.62) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644536 0.83 MET (0.50) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL30779624 0.80 HSP90AA1 (0.52) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644616 0.80 HSP90AA1 (0.52) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644684 0.79 MET (0.58) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644553 0.76 PABPC1 (0.56) CYP3A4HDAC6CYP1A2MEN1KMT2A
SCHEMBL21644620 0.75 MET (0.74) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644514 0.75 HSP90AA1 (0.56) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL30779551 0.75 HSP90AA1 (0.56) METCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644537 0.72 CYP3A4 (0.64) METCYP3A4CYP2C9CYP2C19CYP2B6

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 MET 887/4885CYP3A4 4066/4885CYP2C9 4003/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 MET 887/4885CYP3A4 4066/4885CYP2C9 4003/4885

“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.