SCHEMBL430164

SCHEMBL430164

COc1ccc2c(c1)cc(C(=O)c1cc(OC)c(OC)c(OC)c1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC2 Q92769 6/20 0.65
HDAC11 Q96DB2 6/20 0.65
HDAC8 Q9BY41 6/20 0.65
HDAC6 Q9UBN7 6/20 0.65
HDAC3 O15379 5/20 0.65
HDAC4 P56524 5/20 0.65
HDAC7 Q8WUI4 5/20 0.65
HDAC10 Q969S8 5/20 0.65
HDAC9 Q9UKV0 5/20 0.65
HDAC5 Q9UQL6 5/20 0.65
TUBB1 Q9H4B7 9/20 0.53
TUBB4A P04350 7/20 0.53
TUBB P07437 7/20 0.53
TUBA3C P0DPH7 7/20 0.53
TUBA1B P68363 7/20 0.53
TUBA4A P68366 7/20 0.53
TUBB4B P68371 7/20 0.53
TUBB3 Q13509 7/20 0.53
TUBB2A Q13885 7/20 0.53

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
SCHEMBL424836 0.92 HDAC1 (0.55) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL428250 0.89 TUBB4A (0.57) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL424355 0.89 TUBB4A (0.53) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL424297 0.89 TUBB4A (0.53) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL6866199 0.88 HDAC3 (0.69) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL10176416 0.87 TUBB4A (0.51) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL6422328 0.85 HDAC1 (0.72) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL6865379 0.85 HDAC3 (0.66) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL7066710 0.84 HDAC1 (0.71) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL429768 0.83 TUBB4A (0.53) HDAC1HDAC2HDAC11HDAC8HDAC6

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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 HDAC1 533/4885HDAC2 1886/4885HDAC11 570/4885

“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.