SCHEMBL21644527

SCHEMBL21644527

CC(C)c1cc(C(=O)Nc2ccncc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.57
SGMS2 Q8NHU3 2/20 0.53
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 1/20 0.50
SCD O00767 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL30779573 1.00 LRRK2 (0.57) LRRK2SGMS2RXFP1GAASCD
SCHEMBL21644687 0.92 SGMS2 (0.62) LRRK2SGMS2GAAMEN1KMT2A
SCHEMBL30779582 0.92 SGMS2 (0.62) LRRK2SGMS2GAAMEN1KMT2A
SCHEMBL21644662 0.89 LRRK2 (0.70) LRRK2SGMS2
SCHEMBL30779633 0.89 LRRK2 (0.70) LRRK2SGMS2
SCHEMBL21644602 0.87 SGMS2 (0.56) LRRK2SGMS2RXFP1GAAMEN1
SCHEMBL30779528 0.87 SGMS2 (0.56) LRRK2SGMS2RXFP1GAAMEN1
SCHEMBL28412383 0.85 LRRK2 (0.59) LRRK2SGMS2RXFP1GAAMEN1
SCHEMBL21644641 0.84 LRRK2 (0.47) LRRK2SGMS2
SCHEMBL30779643 0.84 LRRK2 (0.47) LRRK2SGMS2

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 LRRK2 183/4885SGMS2 3734/4885RXFP1 4722/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 LRRK2 183/4885SGMS2 3734/4885RXFP1 4722/4885

“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.