SCHEMBL16559335

SCHEMBL16559335

O=C1c2ccccc2CSc2c(Cl)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.50
▸ MAOA P21397 1/20 0.46
▸ AKR1B1 P15121 1/20 0.42
▸ CES1 P23141 3/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ BCHE P06276 2/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B3 P37058 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ DNMT1 P26358 1/20 0.35
▸ DNMT3L Q9UJW3 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ NSD2 O96028 2/20 0.35
▸ DAO P14920 1/20 0.35

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
SCHEMBL11878033 0.80 ACHE (0.50) ACHEMAOAAKR1B1CES1MAPK14
SCHEMBL21174888 0.80 ACHE (0.50) ACHEMAOAAKR1B1CES1MAPK14
SCHEMBL15143455 0.78 ACHE (0.47) ACHEMAOAAKR1B1CES1MAPK14
SCHEMBL9171936 0.77 MAPT (0.41) ACHECES1BCHES100A4ALDH1A1
SCHEMBL15143211 0.76 ALDH1A1 (0.49) ACHEMAOAAKR1B1CES1ALDH1A1
SCHEMBL21259308 0.76 ACHE (0.50) ACHEMAOAAKR1B1CES1MAPK14
SCHEMBL10369148 0.75 MAOB (0.41) MAOACES1BCHEALDH1A1NSD2
SCHEMBL10369146 0.75 MAOB (0.41) MAOACES1BCHEALDH1A1NSD2
Hydrochloric Acid SCHEMBL10513970 0.75 MAPT (0.40) ACHECES1BCHES100A4ALDH1A1
SCHEMBL86279 0.73 ACHE (0.59) ACHEMAOAAKR1B1CES1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-06-24 — — US disclosed
US-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 — — US disclosed
EP-3778603-A1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF Janssen BioPharma, Inc. (US) 2021-02-17 — — EP disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 — — EP disclosed
US-10702523-B2 AZA-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2020-07-07 — — US disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 — — US disclosed
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2019-10-17 — — US disclosed
US-10251882-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-04-09 — — US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 — — US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 — — US disclosed
US-9328119-B2 AZA-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2016-05-03 — — US disclosed
US-9328119-B2 AZA-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2016-05-03 — — US disclosed
WO-2015038655-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2015-03-19 — — WO disclosed
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2015-03-12 — — US disclosed
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2015-03-12 — — 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 (8 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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-10251882-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885MAOA 132/4885AKR1B1 1902/4885

“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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