SCHEMBL12476204

SCHEMBL12476204

COc1ccc(C(c2ccccc2)(c2ccccc2)C(N)CCC[C@@H](Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ CTSL P07711 2/20 0.35

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
SCHEMBL12475924 1.00 HTR2A (0.45) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12476207 0.87 ALDH1A1 (0.47) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12475982 0.87 ALDH1A1 (0.47) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12476680 0.81 HTR2A (0.45) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL19209361 0.80 HTR2A (0.55) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL15676014 0.79 HTR2A (0.55) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12476676 0.77 SSTR3 (0.49) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12477118 0.76 HTR2A (0.58) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL6594172 0.73 HTR2A (0.74) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL16599526 0.72 HTR2A (0.54) HTR2AGAAALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 — — US disclosed
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 — — US disclosed
EP-2658981-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS HOFFMANN LA ROCHE (CH) 2016-09-28 — — EP disclosed
EP-2658982-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-9301990-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE, INC. (US) 2016-04-05 — — US disclosed
US-9198947-B2 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2015-12-01 — — US disclosed
US-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-15 — — US disclosed
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2014-05-15 — — US disclosed
EP-2658982-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
EP-2658981-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
WO-2012089602-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — WO disclosed
WO-2012089352-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — 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 (3 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-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds SNRPE, PHAX, SNRPA HTR2A 4648/4885GAA 145/4885ALDH1A1 3291/4885
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids SNRPE, PHAX, SNRPA HTR2A 4461/4885GAA 516/4885ALDH1A1 3508/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA HTR2A 4648/4885GAA 145/4885ALDH1A1 3291/4885

“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.

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