SCHEMBL1348821

SCHEMBL1348821

NCc1cccc(-c2cccc([C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3c3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP5 P45974 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 2/20 0.39
TSHR P16473 1/20 0.39
TPSAB1 Q15661 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15841672 1.00 CCR5 (0.44) CCR5AKR1C3AKR1C1MEN1KMT2A
SCHEMBL1349430 0.84 AKR1C3 (0.44) CCR5AKR1C3AKR1C1USP5GAA
SCHEMBL1347177 0.84 AKR1C3 (0.44) CCR5AKR1C3AKR1C1USP5GAA
SCHEMBL1349434 0.84 AKR1C3 (0.44) CCR5AKR1C3AKR1C1USP5GAA
SCHEMBL1347178 0.84 AKR1C3 (0.44) CCR5AKR1C3AKR1C1USP5GAA
SCHEMBL1347181 0.84 AKR1C3 (0.44) CCR5AKR1C3AKR1C1USP5GAA
SCHEMBL1349356 0.81 USP2 (0.45) CCR5AKR1C3AKR1C1USP5LMNA
SCHEMBL1348822 0.81 USP2 (0.45) CCR5AKR1C3AKR1C1USP5LMNA
SCHEMBL1346809 0.79 ALDH1A1 (0.40) AKR1C3AKR1C1MEN1KMT2ASMN1; SMN2
SCHEMBL1349188 0.79 PKM (0.47) MEN1KMT2AUSP5PKMBCL9

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 9 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-A1 IMIDAZOLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-02 EP claimed
US-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
WO-2009150109-A1 IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 WO 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
EP-2288594-A1 IMIDAZOLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-02 EP disclosed
US-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
WO-2009150109-A1 IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 WO 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 CCR5 321/4885AKR1C3 844/4885AKR1C1 680/4885

“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.