SCHEMBL21808508

SCHEMBL21808508

Cc1cc(OC(=O)N2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ P2RY12 Q9H244 6/20 0.42
▸ GAA P10253 3/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ LMNA P02545 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
SCHEMBL23668162 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EP2RY12GAANTRK1
Hydrochloric Acid SCHEMBL23668163 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EP2RY12GAANTRK1
Hydrochloric Acid SCHEMBL21808490 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EP2RY12GAANTRK1
SCHEMBL21808183 0.88 P2RY12 (0.42) ALDH1A1KDM4EP2RY12GAANTRK1
SCHEMBL23668164 0.88 P2RY12 (0.42) ALDH1A1KDM4EP2RY12GAANTRK1
SCHEMBL23668130 0.88 P2RY12 (0.43) ALDH1A1KDM4EP2RY12GAANTRK1
SCHEMBL21808515 0.88 P2RY12 (0.43) ALDH1A1KDM4EP2RY12GAANTRK1
Hydrochloric Acid SCHEMBL21808316 0.87 P2RY12 (0.41) ALDH1A1KDM4EP2RY12GAANTRK1
Hydrochloric Acid SCHEMBL23668159 0.87 P2RY12 (0.41) ALDH1A1KDM4EP2RY12GAANTRK1
Hydrochloric Acid SCHEMBL23668149 0.87 P2RY12 (0.42) ALDH1A1KDM4EP2RY12GAANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427547-B2 Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease J2H BIOTECH INC. (KR) 2022-08-30 — — US claimed
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE Theragen Etex Co., Ltd (KR) 2022-02-03 — — US claimed
EP-3854787-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE J2H Biotech Inc. (KR) 2021-07-28 — — EP claimed
CN-112714760-A Edaravone prodrug compound and medical application thereof in treating or improving neurodegenerative or motor neuron diseases J2H生物科技有限公司 2021-04-27 — — CN claimed
WO-2020060092-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE 제이투에이치바이오텍 주식회사 2020-03-26 — — WO claimed
US-11427547-B2 Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease J2H BIOTECH INC. (KR) 2022-08-30 — — US disclosed
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE Theragen Etex Co., Ltd (KR) 2022-02-03 — — US disclosed
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE Theragen Etex Co., Ltd (KR) 2022-02-03 — — US disclosed
EP-3854787-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE J2H Biotech Inc. (KR) 2021-07-28 — — EP disclosed
CN-112714760-A Edaravone prodrug compound and medical application thereof in treating or improving neurodegenerative or motor neuron diseases J2H生物科技有限公司 2021-04-27 — — CN disclosed
WO-2020060092-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE 제이투에이치바이오텍 주식회사 2020-03-26 — — 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 (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-11427547-B2 Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease SMN1; SMN2, NLN, EDNRA ALDH1A1 416/4885KDM4E 925/4885P2RY12 1560/4885
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE SMN1; SMN2, NLN, EDNRA ALDH1A1 416/4885KDM4E 925/4885P2RY12 1560/4885

“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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