SCHEMBL21977403

SCHEMBL21977403

Nc1nc(Cl)c2ncn(Cc3ccc(F)cc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.66
HDAC1 Q13547 8/20 0.66
HDAC4 P56524 5/20 0.66
HSP90AA1 P07900 9/20 0.59
HSP90AB1 P08238 9/20 0.59
HDAC2 Q92769 3/20 0.58
HDAC3 O15379 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55

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
SCHEMBL30532617 1.00 HDAC6 (0.66) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL25547980 0.89 HDAC6 (0.69) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL21977307 0.89 HDAC6 (0.69) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL21977339 0.87 CDK1 (0.57) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL12857150 0.86 HDAC6 (0.70) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL6272417 0.86 ALDH1A1 (0.66) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL5461215 0.86 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL3389693 0.84 HDAC6 (0.63) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL22533970 0.83 HDAC6 (0.65) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3389606 0.83 HSP90AB1 (0.71) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1

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-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
CN-116570565-A Artificial autophagy targeting chimeric and preparation method and application thereof 四川大学 2023-08-11 CN disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 HDAC6 17/4885HDAC1 131/4885HDAC4 342/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 HDAC6 17/4885HDAC1 131/4885HDAC4 342/4885

“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.