SCHEMBL5593792

SCHEMBL5593792

O=C(c1ccccc1)c1ccc(Cn2sccc2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 3/20 0.71
HTT P42858 3/20 0.71
G6PD P11413 2/20 0.71
ALOX15 P16050 2/20 0.71
HSD17B10 Q99714 2/20 0.71
MAPT P10636 1/20 0.71
PKM P14618 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
CYP19A1 P11511 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSP90AB1 P08238 2/20 0.42
SRD5A2 P31213 1/20 0.42
TP53 P04637 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL1879713 0.84 ALDH1A1 (1.00) ALDH1A1HPGDHTTG6PDALOX15
Hydrochloric Acid SCHEMBL9320078 0.82 ALDH1A1 (0.96) ALDH1A1HPGDHTTG6PDALOX15
Chloroacetic Acid SCHEMBL9321136 0.81 ALDH1A1 (0.81) ALDH1A1HPGDHTTG6PDALOX15
Hydrochloric Acid SCHEMBL11708748 0.80 ALDH1A1 (0.93) ALDH1A1HPGDHTTG6PDALOX15
SCHEMBL14640438 0.78 KAT2B (0.49) ALDH1A1HPGDHTTG6PDALOX15
SCHEMBL5593705 0.74 HDAC3 (0.46) ALDH1A1CYP19A1MEN1KMT2ACASP3
SCHEMBL5917427 0.73 ALDH1A1 (0.67) ALDH1A1HPGDHTTG6PDALOX15
SCHEMBL27987759 0.70 CYP19A1 (0.67) ALDH1A1MAPTTDP1CYP19A1MEN1
SCHEMBL10770395 0.70 CNR2 (0.46) ALDH1A1HPGDHTTMAPTCASP3
SCHEMBL1534350 0.69 ALDH1A1 (0.61) ALDH1A1HPGDHTTMAPTTDP1

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 ALDH1A1 850/4885HPGD 168/4885HTT 4548/4885

“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.