SCHEMBL22495337

SCHEMBL22495337

COc1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.79
▸ KMT2A Q03164 8/20 0.79
▸ ALDH1A1 P00352 6/20 0.79
▸ RAB9A P51151 5/20 0.79
▸ NR4A1 P22736 1/20 0.79
▸ MCL1 Q07820 1/20 0.79
▸ NPC1 O15118 4/20 0.75
▸ MAPKAPK2 P49137 1/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ ALOX15 P16050 3/20 0.64
▸ TP53 P04637 1/20 0.64
▸ HTR3E A5X5Y0 1/20 0.64
▸ HTR3B O95264 1/20 0.64
▸ ADRB1 P08588 1/20 0.64
▸ HTR3A P46098 1/20 0.64
▸ HTR3D Q70Z44 1/20 0.64
▸ HTR3C Q8WXA8 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ MEN1 O00255 4/20 0.62

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
SCHEMBL22495299 0.91 RAB9A (0.90) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL24891825 0.89 RAB9A (0.64) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL13856556 0.88 MAPT (1.00) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL12306050 0.88 MAPT (0.60) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL8292347 0.87 MAPT (0.97) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL22495277 0.86 RAB9A (0.81) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL22495349 0.86 RAB9A (0.81) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL31254451 0.86 RAB9A (1.00) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL8769785 0.85 RAB9A (0.59) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL1663115 0.85 ALDH1A1 (0.66) MAPTKMT2AALDH1A1RAB9ANR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 16/4885KMT2A 4463/4885ALDH1A1 1769/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 MAPT 17/4885KMT2A 4496/4885ALDH1A1 1757/4885

“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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