SCHEMBL12508992

SCHEMBL12508992

COc1ccc2sc(-c3ccc(/C=C/c4ccc(N=O)cc4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.53
▸ DYRK1A Q13627 6/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ APP P05067 5/20 0.48
▸ MGAM O43451 3/20 0.48
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SULT1A1 P50225 1/20 0.45

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
SCHEMBL12509569 0.93 DYRK1A (0.57) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL12508993 0.91 APP (0.60) APPGLAGAASULT1A1
SCHEMBL12509576 0.84 APP (0.68) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL10311784 0.83 APP (0.69) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL12509030 0.82 APP (0.70) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL12509376 0.82 APP (0.70) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL12509551 0.82 SCD (0.54) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL12509024 0.81 APP (0.55) APPMGAMGLAGAASULT1A1
SCHEMBL2136362 0.81 SMN1; SMN2 (0.71) HDAC6DYRK1AKDM4ENPC1PKM
SCHEMBL12509567 0.76 APP (0.54) APPGLAGAASULT1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — 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 (1 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 HDAC6 61/4885DYRK1A 3284/4885KDM4E 4073/4885

“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.

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