SCHEMBL21644549

SCHEMBL21644549

CC(C)c1cc(C(=O)Nc2ccc3ccn(C(=O)OC(C)(C)C)c3c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LRRK2 Q5S007 8/20 0.40
GAA P10253 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CYP19A1 P11511 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MET P08581 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
SCHEMBL20509680 0.93 GRM4 (0.41) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL29184295 0.90 MAOB (0.44) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL30779587 0.85 CFTR (0.46) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL21644521 0.85 CFTR (0.46) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL29184302 0.81 GRM4 (0.40) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL30779665 0.80 NOTUM (0.49) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL1868235 0.80 NOTUM (0.49) MAOBMAOAMEN1KMT2ALRRK2
SCHEMBL21678064 0.80 TRPV3 (0.39) KMT2ASGMS2MAPT
SCHEMBL30779582 0.78 SGMS2 (0.62) MEN1KMT2ALRRK2GAASGMS2
SCHEMBL21644687 0.78 SGMS2 (0.62) MEN1KMT2ALRRK2GAASGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 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 MAOB 3544/4885MAOA 3100/4885MEN1 4724/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 MAOB 3544/4885MAOA 3100/4885MEN1 4724/4885

“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.