SCHEMBL5593705

SCHEMBL5593705

O=C(c1ccccc1)c1ccc(Cn2sc(Cl)c(Cl)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
CASP3 P42574 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYP19A1 P11511 2/20 0.45
HSP90AB1 P08238 2/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
KAT2B Q92831 2/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL14640378 0.82 KAT2B (0.49) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL14640438 0.78 KAT2B (0.49) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL2108656 0.78 KAT2B (0.53) CASP3MEN1KMT2AFAAHMGLL
SCHEMBL5593816 0.75 GAA (0.46) CASP3KMT2ACYP19A1HSP90AB1FAAH
SCHEMBL5593645 0.75 KAT2B (0.50) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL5593792 0.74 ALDH1A1 (0.71) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL8430762 0.71 CASP3 (0.58) CASP3MGLLKAT2BALDH1A1
SCHEMBL5593690 0.71 KAT2B (0.49) CASP3KAT2B
SCHEMBL10770395 0.70 CNR2 (0.46) CASP3KAT2BALDH1A1NPC1RAB9A
SCHEMBL8222491 0.69 CASP3 (0.75) HDAC3HDAC1HDAC8HDAC6HDAC5

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
WO-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
WO-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
US-20060293374-A1 Substituted isothiazolones JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 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 (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-20060293374-A1 Substituted isothiazolones LTB4R2, PTGES2, CYSLTR2 HDAC3 3616/4885HDAC1 2632/4885HDAC8 2757/4885

“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.