SCHEMBL21678044

SCHEMBL21678044

CC(C)c1cc(C(=O)N(c2cnc3c(ccn3C)c2)C(C)C)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 17/20 0.39
HSP90B1 P14625 3/20 0.37
HSP90AB1 P08238 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HDAC10 Q969S8 1/20 0.35
TRAP1 Q12931 1/20 0.35

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
SCHEMBL30019616 1.00 MET (0.49) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21644678 0.88 MET (0.50) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21644569 0.86 MET (0.68) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21678119 0.84 MET (0.48) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL30019516 0.84 MET (0.48) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21644714 0.84 MET (0.58) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL30779610 0.80 HSP90AA1 (0.41) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21644523 0.80 HSP90AA1 (0.41) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL21678120 0.77 HSP90AA1 (0.39) METCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL30019603 0.77 HSP90AA1 (0.39) METCYP3A4CYP2C9CYP2B6CYP2C19

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 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.