SCHEMBL22495342

SCHEMBL22495342

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cn4)CC3)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
PPARG P37231 2/20 0.51
GPR6 P46095 2/20 0.49
PANK3 Q9H999 4/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 3/20 0.46
QSOX1 O00391 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.44

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
SCHEMBL31504201 1.00 MAPT (0.51) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL22495405 0.90 MAPT (0.58) MAPTGPR6ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21771104 0.85 RAB9A (0.62) MAPTPANK3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL31504260 0.84 PANK3 (0.52) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL22495282 0.84 PANK3 (0.52) MAPTPPARGGPR6PANK3ALDH1A1
SCHEMBL31504183 0.83 LMNA (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL22495244 0.83 LMNA (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL22495190 0.82 RAB9A (0.53) MAPTPPARGPANK3ALDH1A1SMN1; SMN2
SCHEMBL22495214 0.79 RAB9A (0.64) MAPTPPARGPANK3ALDH1A1SMN1; SMN2
SCHEMBL30172115 0.79 MAPT (0.54) MAPTPPARGPANK3ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US claimed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP claimed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US claimed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN claimed
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN 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 (2 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 MAPT 16/4885PPARG 2897/4885GPR6 3162/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 MAPT 17/4885PPARG 3173/4885GPR6 3384/4885

“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.