SCHEMBL21644553

SCHEMBL21644553

CC(C)c1cc(C(=O)Nc2cccc3ncccc23)c(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 4/20 0.56
EIF4H Q15056 4/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CLK1 P49759 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL21644645 0.83 KDR (0.66) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL30779661 0.80 HTT (0.54) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL21644672 0.80 HTT (0.54) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL21644596 0.77 NPC1 (0.58) PABPC1MAPTMEN1KMT2ACYP1A2
SCHEMBL30779606 0.77 SMN1; SMN2 (0.62) PABPC1EIF4HMAPTMEN1KMT2A
SCHEMBL21644587 0.77 SMN1; SMN2 (0.62) PABPC1EIF4HMAPTMEN1KMT2A
SCHEMBL21644593 0.76 MET (0.49) MEN1KMT2AHDAC6CYP1A2CYP3A4
SCHEMBL21644533 0.74 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL30779608 0.74 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL21644613 0.74 MET (0.62) HDAC6CYP1A2CYP3A4

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 PABPC1 714/4885EIF4H 411/4885MAPT 1750/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 PABPC1 714/4885EIF4H 411/4885MAPT 1750/4885

“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.