SCHEMBL14211654

SCHEMBL14211654

OCc1cc[n+](Cc2ccccc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHKA P35790 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ TSHR P16473 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
Bromide SCHEMBL17632298 0.98 ACHE (0.48) ACHELMNANPSR1L3MBTL1CHKA
SCHEMBL25848023 0.72 LMNA (0.47) ACHELMNANPSR1L3MBTL1CHKA
SCHEMBL6263179 0.72 CHKA (0.68) LMNACHKAALDH1A1HTTSMN1; SMN2
Bromide SCHEMBL463578 0.72 CHKA (0.43) ACHELMNANPSR1L3MBTL1CHKA
Bromide SCHEMBL463579 0.72 CHKA (0.43) ACHELMNANPSR1L3MBTL1CHKA
Hydrochloric Acid SCHEMBL21061013 0.71 CHKA (0.66) LMNACHKAALDH1A1HTTSMN1; SMN2
Bromide SCHEMBL6263418 0.71 CHKA (0.71) ACHELMNACHKAALDH1A1HTT
SCHEMBL5304924 0.70 CHKA (0.49) ACHELMNANPSR1L3MBTL1CHKA
SCHEMBL10692064 0.70 CHKA (0.57) ACHELMNACHKAALDH1A1HTT
Hydrochloric Acid SCHEMBL11483900 0.69 LMNA (0.51) ACHELMNANPSR1L3MBTL1CHKA

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-4308557-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-01-24 — — EP disclosed
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 — — CN disclosed
US-20230257363-A1 COMPOUNDS, COMPOSITIONS AND METHODS CERECOR INC. 2023-08-17 — — US disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 — — US disclosed
WO-2022198112-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-09-22 — — WO disclosed
US-20170369469-A1 COMPOUNDS, COMPOSITIONS AND METHODS CERECOR, INC. (US) 2017-12-28 — — US disclosed
WO-2016100349-A2 BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-06-23 — — WO disclosed
WO-2016049048-A1 TREATMENT OF ANXIETY DISORDERS AND AUTISM SPECTRUM DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-31 — — WO disclosed
US-20080086006-A1 Process for Making Substituted Piperidines MERCK SHARP & DOHME CORP. 2008-04-10 — — US 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 (4 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-20170369469-A1 COMPOUNDS, COMPOSITIONS AND METHODS BDNF, CYP2D6, CYP11B1 ACHE 669/4885LMNA 1584/4885NPSR1 386/4885
US-20080086006-A1 Process for Making Substituted Piperidines ITPA, PAICS, PPIP5K2 ACHE 2059/4885LMNA 3875/4885NPSR1 1837/4885
US-20230257363-A1 COMPOUNDS, COMPOSITIONS AND METHODS BDNF, CYP2D6, CYP11B1 ACHE 669/4885LMNA 1584/4885NPSR1 386/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 ACHE 2086/4885LMNA 2029/4885NPSR1 4664/4885

“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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