SCHEMBL5604190

SCHEMBL5604190

N#Cc1ccc(C2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
ICMT O60725 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
USP8 P40818 1/20 0.38
CHEK2 O96017 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL1256099 0.82 CHEK2 (0.39) TSHRMAOBMAOAOPRM1OPRK1
SCHEMBL27825774 0.80 CHEK2 (0.38) TSHRMAOBMAOAOPRM1OPRK1
SCHEMBL4796054 0.77 TSHR (0.38) TSHRMAOBMAOAICMTOPRD1
SCHEMBL2280968 0.75 TSHR (0.44) TSHRMAOBMAOAICMTOPRD1
SCHEMBL3565013 0.75 ALDH1A1 (0.40) OPRD1OPRM1OPRK1OPRL1CHEK2
SCHEMBL14081492 0.75 OPRM1 (0.42) TSHRICMTOPRD1OPRM1OPRK1
SCHEMBL14778257 0.73 GAA (0.46) MAPK1
SCHEMBL9618088 0.73 MEN1 (0.46) MAPK1
SCHEMBL3092427 0.73 POLB (0.42) TSHRICMTALDH1A1CYP2A6CA12
SCHEMBL9792509 0.71 NOTUM (0.39) TSHRCHEK2

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 TSHR 2780/4885MAOB 1810/4885MAOA 2630/4885

“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.