SCHEMBL5593649

SCHEMBL5593649

O=c1ccsn1Cc1cccc(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
G6PD P11413 2/20 0.65
HPGD P15428 2/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HIF1A Q16665 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 4/20 0.39
IDO1 P14902 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2A P28223 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7307539 0.81 MAPT (0.70) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5593583 0.80 ALDH1A1 (0.68) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL1879713 0.79 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL9320078 0.78 ALDH1A1 (0.96) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5593775 0.76 KAT2B (0.49) ALDH1A1G6PDHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL11708755 0.76 ALDH1A1 (0.93) ALDH1A1G6PDHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL11708748 0.76 ALDH1A1 (0.93) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5917427 0.75 ALDH1A1 (0.67) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL14640379 0.75 ALDH1A1 (0.56) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL14640405 0.73 ALDH1A1 (0.54) ALDH1A1G6PDHPGDALOX15HSD17B10

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
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 850/4885G6PD 2546/4885HPGD 168/4885

“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.