SCHEMBL22836331

SCHEMBL22836331

COc1ccc(COc2cc(F)c(C=O)cc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ APP P05067 5/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ TRIM33 Q9UPN9 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
SCHEMBL29690561 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL25750639 0.85 NPC1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL22230885 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL207723 0.84 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL5328071 0.81 NPC1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL27028728 0.80 APP (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL14700006 0.79 APP (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL20607781 0.78 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL29859226 0.77 CCR5 (0.63) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL5628127 0.77 CCR5 (0.63) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 — — US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 — — US disclosed
CN-114585609-A 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2022-06-03 — — CN disclosed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 — — EP disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 — — WO disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 — — 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 ALDH1A1 1071/4885SMN1; SMN2 1182/4885LMNA 3239/4885

“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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