SCHEMBL21644594

SCHEMBL21644594

CC(C)c1cc(C(=O)Nc2ccccc2F)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
SENP7 Q9BQF6 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CASP3 P42574 2/20 0.57
RAB9A P51151 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.48
GAA P10253 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
BRD4 O60885 2/20 0.47
LRRK2 Q5S007 2/20 0.44
SGMS2 Q8NHU3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL30779640 1.00 NPC1 (0.57) NPC1SENP7SMN1; SMN2CASP3RAB9A
SCHEMBL21644687 0.85 SGMS2 (0.62) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL30779582 0.85 SGMS2 (0.62) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL28415323 0.85 NPC1 (0.54) NPC1SENP7SMN1; SMN2CASP3RAB9A
SCHEMBL21644602 0.85 SGMS2 (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL30779528 0.85 SGMS2 (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL21644624 0.84 LRRK2 (0.48) SMN1; SMN2L3MBTL1TDP1BRD4LRRK2
SCHEMBL30779622 0.84 LRRK2 (0.48) SMN1; SMN2L3MBTL1TDP1BRD4LRRK2
SCHEMBL21644641 0.84 LRRK2 (0.47) SMN1; SMN2L3MBTL1TDP1BRD4LRRK2
SCHEMBL30779643 0.84 LRRK2 (0.47) SMN1; SMN2L3MBTL1TDP1BRD4LRRK2

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 NPC1 1353/4885SENP7 2818/4885SMN1; SMN2 4067/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1353/4885SENP7 2818/4885SMN1; SMN2 4067/4885

“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.