SCHEMBL18549219

SCHEMBL18549219

O=C(C=Cc1cnc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1)NO

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.67
HDAC3 O15379 8/20 0.67
HDAC6 Q9UBN7 8/20 0.67
HDAC4 P56524 7/20 0.67
HDAC7 Q8WUI4 7/20 0.67
HDAC2 Q92769 7/20 0.67
HDAC10 Q969S8 7/20 0.67
HDAC11 Q96DB2 7/20 0.67
HDAC8 Q9BY41 7/20 0.67
HDAC9 Q9UKV0 7/20 0.67
HDAC5 Q9UQL6 7/20 0.67
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
GPR183 P32249 3/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL18549216 1.00 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549220 0.90 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549217 0.90 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL17173412 0.90 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549261 0.90 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549146 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549149 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549159 0.89 HDAC3 (0.51) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549158 0.89 HDAC3 (0.51) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL18549163 0.87 HDAC1 (0.63) HDAC1HDAC3HDAC6HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 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-10246455-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC5 HDAC1 1/4885HDAC3 4/4885HDAC6 11/4885
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC5 HDAC1 1/4885HDAC3 4/4885HDAC6 11/4885

“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.