SCHEMBL3834002

SCHEMBL3834002

Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ TDP2 O95551 7/20 0.53
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ THRB P10828 1/20 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
Hydrochloric Acid SCHEMBL29508956 0.74 KDM4E (0.67) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL3476023 0.73 GSR (0.65) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL21524602 0.73 KDM4E (0.60) KDM4EMAPTALDH1A1GAAHPGD
Formamide SCHEMBL27537629 0.70 BRD4 (0.44) KDM4EMAPTALDH1A1GAAHPGD
Neocryptolepine SCHEMBL1833360 0.70 TERT (0.59) KDM4EMAPTALDH1A1GAAHPGD
Neocryptolepine SCHEMBL29349695 0.70 TERT (0.59) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL16692191 0.67 KDM4E (0.64) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL28031586 0.67 DAO (0.51) KDM4EMAPTALDH1A1HPGDTP53
SCHEMBL11549624 0.67 EGFR (0.51) KDM4EALDH1A1NPC1
SCHEMBL21234361 0.66 TDP2 (1.00) TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 — — US disclosed
EP-3851447-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2023-09-06 — — EP disclosed
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2021-12-16 — — US disclosed
EP-2862581-B1 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LP (CA) 2021-08-11 — — EP disclosed
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 — — EP disclosed
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BELLUS HEALTH INC. (CA) 2021-06-01 — — US disclosed
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid Bellus Health, Inc. (CA) 2020-12-08 — — US disclosed
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2020-08-13 — — US disclosed
US-10238611-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BELLUS HEALTH INC. (CA) 2019-03-26 — — US disclosed
US-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC. (CA) 2017-04-06 — — US disclosed
US-9499480-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2016-11-22 — — US disclosed
EP-2862581-A2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI Limited Partnership (CA) 2015-04-22 — — EP disclosed
EP-2089417-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LTD PARTNERSHIP (CA) 2014-12-31 — — EP disclosed
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LIMITED PARTNERSHIP (CA) 2014-08-07 — — US disclosed
US-8748656-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2014-06-10 — — US disclosed
EP-2089417-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS Health (International) Limited (CH) 2009-08-19 — — EP disclosed
WO-2009019534-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (US) 2009-02-12 — — WO disclosed
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease BELLUS HEALTH INC. (CA) 2008-06-19 — — 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 (9 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-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 KDM4E 2505/4885MAPT 24/4885ALDH1A1 903/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 KDM4E 2417/4885MAPT 22/4885ALDH1A1 888/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP KDM4E 2428/4885MAPT 31/4885ALDH1A1 880/4885
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP KDM4E 2428/4885MAPT 31/4885ALDH1A1 880/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 KDM4E 2505/4885MAPT 24/4885ALDH1A1 903/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 KDM4E 2505/4885MAPT 24/4885ALDH1A1 903/4885
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease DNPEP, DAO, APP KDM4E 2079/4885MAPT 198/4885ALDH1A1 103/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 KDM4E 2505/4885MAPT 24/4885ALDH1A1 903/4885
US-10238611-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP KDM4E 2428/4885MAPT 31/4885ALDH1A1 880/4885

“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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