SCHEMBL21644550

SCHEMBL21644550

CC(C)c1cc(C(=O)Nc2ccc3c(ccn3C)c2)c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.50
HSP90AB1 P08238 14/20 0.50
MAOB P27338 1/20 0.49
HTR2C P28335 3/20 0.47
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTR2B P41595 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL21644544 0.91 CFTR (0.50) HSP90AA1HSP90AB1MAOBMEN1KMT2A
SCHEMBL30779682 0.91 CFTR (0.50) HSP90AA1HSP90AB1MAOBMEN1KMT2A
SCHEMBL13808318 0.84 HTR2C (0.46) HSP90AA1HSP90AB1MAOBHTR2CHSP90B1
SCHEMBL14184196 0.84 MAOB (0.52) HSP90AA1HSP90AB1MAOBHTR2CMEN1
SCHEMBL21644666 0.81 CHRNA7 (0.42) HSP90AA1HSP90AB1HSP90B1
SCHEMBL4931031 0.81 KMT2A (0.53) MAOBHTR2CMEN1TP53CYP1A2
SCHEMBL12671551 0.77 NOTUM (0.47) HSP90AA1HSP90AB1MAOBHTR2CMEN1
SCHEMBL21644516 0.76 HSP90AA1 (0.48) HSP90AA1HSP90AB1HSP90B1TRAP1CYP3A4
SCHEMBL14184016 0.76 HTR2C (0.48) MAOBHTR2CMEN1TP53CYP1A2
SCHEMBL21644638 0.76 AKR1C3 (0.44) HSP90AA1HSP90AB1CYP1A2CYP3A4MAPT

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 3/4885HSP90AB1 1/4885MAOB 3544/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885MAOB 3544/4885

“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.