SCHEMBL3422337

SCHEMBL3422337

Cn1ccc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NO)c3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.61
HDAC6 Q9UBN7 14/20 0.61
HDAC3 O15379 14/20 0.60
HDAC8 Q9BY41 13/20 0.60
HDAC2 Q92769 13/20 0.55
HDAC10 Q969S8 12/20 0.55
HDAC11 Q96DB2 12/20 0.55
HDAC9 Q9UKV0 12/20 0.55
KDM1A O60341 1/20 0.55
HDAC4 P56524 13/20 0.43
HDAC7 Q8WUI4 11/20 0.43
HDAC5 Q9UQL6 11/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
INSR P06213 1/20 0.43
PDGFRB P09619 1/20 0.43
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40

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
SCHEMBL3422334 1.00 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1885509 0.85 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1885505 0.85 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL15976067 0.85 HDAC1 (0.78) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297054 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297055 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3141718 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296490 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296489 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3141726 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC8HDAC2

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-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 HDAC1 1/4885HDAC6 17/4885HDAC3 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.