SCHEMBL21644596

SCHEMBL21644596

CC(C)c1cc(C(=O)Nc2ccc3ncccc3c2)c(O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.58
RAB9A P51151 9/20 0.58
PABPC1 P11940 1/20 0.56
POLB P06746 3/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.55
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAT2A P31153 1/20 0.48
MET P08581 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOTUM Q6P988 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL21644539 0.85 TMPRSS4 (0.63) NPC1RAB9APOLBMAPTMET
SCHEMBL29024742 0.80 NPC1 (0.64) NPC1RAB9APABPC1POLBHTT
SCHEMBL30503637 0.80 NPC1 (0.64) NPC1RAB9APABPC1POLBHTT
SCHEMBL21644645 0.78 KDR (0.66) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL30503661 0.78 NPC1 (0.80) NPC1RAB9APABPC1POLBHTT
SCHEMBL29024932 0.78 NPC1 (0.80) NPC1RAB9APABPC1POLBHTT
SCHEMBL21644684 0.77 MET (0.58) HTTMETCYP3A4
SCHEMBL21644553 0.77 PABPC1 (0.56) PABPC1POLBMEN1KMT2AMAPT
SCHEMBL30503668 0.77 NPC1 (0.71) NPC1RAB9APABPC1POLBHTT
SCHEMBL29024918 0.77 NPC1 (0.71) NPC1RAB9APABPC1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN 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 1972/4885PABPC1 714/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1353/4885RAB9A 1972/4885PABPC1 714/4885

“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.