SCHEMBL21644558

SCHEMBL21644558

CC(C)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
JAK2 O60674 3/20 0.53
JAK1 P23458 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAOB P27338 1/20 0.53
ACACB O00763 3/20 0.52
ACACA Q13085 3/20 0.52
POLB P06746 1/20 0.52
MET P08581 1/20 0.51
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51

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
SCHEMBL30779591 1.00 NPC1 (0.53) NPC1RAB9AJAK2JAK1MEN1
SCHEMBL30779602 0.89 SGMS2 (0.47) MEN1KMT2AMET
SCHEMBL21644625 0.89 SGMS2 (0.47) MEN1KMT2AMET
SCHEMBL28414836 0.87 JAK2 (0.53) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL30779601 0.83 LRRK2 (0.48) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL21644588 0.83 LRRK2 (0.48) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL21644687 0.82 SGMS2 (0.62) NPC1RAB9AMEN1KMT2AMET
SCHEMBL30779582 0.82 SGMS2 (0.62) NPC1RAB9AMEN1KMT2AMET
SCHEMBL21644614 0.81 PABPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30779645 0.81 PABPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB

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 NPC1 1353/4885RAB9A 1972/4885JAK2 1032/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1353/4885RAB9A 1972/4885JAK2 1032/4885

“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.