SCHEMBL1349356

SCHEMBL1349356

CNc1cccc(-c2cccc([C@@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3c3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
USP5 P45974 1/20 0.43
CCR5 P51681 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM1A O60341 1/20 0.40
HTR6 P50406 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 1/20 0.39
CCR6 P51684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1348822 1.00 USP2 (0.45) USP2GAATP53USP5CCR5
SCHEMBL1349434 0.86 AKR1C3 (0.44) USP2GAATP53USP5CCR5
SCHEMBL1347181 0.86 AKR1C3 (0.44) USP2GAATP53USP5CCR5
SCHEMBL1347178 0.86 AKR1C3 (0.44) USP2GAATP53USP5CCR5
SCHEMBL1347177 0.86 AKR1C3 (0.44) USP2GAATP53USP5CCR5
SCHEMBL1349430 0.86 AKR1C3 (0.44) USP2GAATP53USP5CCR5
SCHEMBL15841672 0.81 CCR5 (0.44) GAAUSP5CCR5AKR1C3AKR1C1
SCHEMBL1348821 0.81 CCR5 (0.44) GAAUSP5CCR5AKR1C3AKR1C1
SCHEMBL1347914 0.78 ALDH1A1 (0.48) GAAUSP5CCR5ALDH1A1
SCHEMBL1347917 0.78 ALDH1A1 (0.48) GAAUSP5CCR5ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288594-B1 IMIDAZOLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-07-02 EP claimed
EP-2288594-B1 IMIDAZOLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-07-02 EP disclosed
US-8063088-B2 Imidazolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES NR1H2, NR1H3, NR1D2 USP2 4655/4885GAA 2458/4885TP53 4672/4885

“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.