SCHEMBL21644641

SCHEMBL21644641

CC(C)c1cc(C(=O)Nc2cccnc2OCc2ccccc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SGMS2 Q8NHU3 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPIA P62937 2/20 0.43
P2RY1 P47900 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL30779643 1.00 LRRK2 (0.47) LRRK2L3MBTL1SGMS2TDP1PPIA
SCHEMBL30779622 0.90 LRRK2 (0.48) LRRK2L3MBTL1SGMS2TDP1PPIA
SCHEMBL21644624 0.90 LRRK2 (0.48) LRRK2L3MBTL1SGMS2TDP1PPIA
SCHEMBL21644670 0.87 KMT2A (0.58) L3MBTL1SMN1; SMN2
SCHEMBL30779626 0.87 KMT2A (0.58) L3MBTL1SMN1; SMN2
SCHEMBL21644587 0.86 SMN1; SMN2 (0.62) LRRK2L3MBTL1SMN1; SMN2
SCHEMBL30779606 0.86 SMN1; SMN2 (0.62) LRRK2L3MBTL1SMN1; SMN2
SCHEMBL28890981 0.86 LRRK2 (0.51) LRRK2L3MBTL1SGMS2TDP1
SCHEMBL21644594 0.84 NPC1 (0.57) LRRK2L3MBTL1SGMS2TDP1SMN1; SMN2
SCHEMBL21644527 0.84 LRRK2 (0.57) 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 3 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
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 183/4885L3MBTL1 3195/4885SGMS2 3734/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 LRRK2 183/4885L3MBTL1 3195/4885SGMS2 3734/4885

“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.