SCHEMBL425798

SCHEMBL425798

O=C(c1ccccc1)c1cccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
CA2 P00918 1/20 0.58
ACLY P53396 7/20 0.55
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL428130 0.93 ACLY (0.54) CA12CA9CA2ACLYHDAC3
SCHEMBL424372 0.92 HDAC3 (0.60) CA12CA9CA2ACLYHDAC3
SCHEMBL423211 0.90 CA12 (0.49) CA12CA9CA2ACLYHDAC3
SCHEMBL426732 0.88 CA12 (0.49) CA12CA9CA2ACLYHDAC3
SCHEMBL424094 0.87 PDE4A (0.50) CA12CA9CA2ACLYHDAC3
SCHEMBL10226042 0.87 CA12 (0.48) CA12CA9CA2ACLYHDAC3
SCHEMBL10176327 0.87 HDAC3 (0.51) CA12CA9CA2ACLYHDAC3
SCHEMBL429228 0.86 TUBB4A (0.56) CA12CA9CA2ACLYHDAC3
SCHEMBL10226048 0.84 CA12 (0.47) CA12CA9CA2ACLYHDAC3
SCHEMBL3558164 0.84 CA12 (0.78) CA12CA9CA2ACLYALDH1A1

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 CA12 4374/4885CA9 4149/4885CA2 4012/4885

“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.