SCHEMBL23668133

SCHEMBL23668133

Cc1cc(OC(=O)N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ AKT1 P31749 4/20 0.45
▸ AKT2 P31751 2/20 0.45
▸ AKT3 Q9Y243 2/20 0.45
▸ OPRK1 P41145 6/20 0.43
▸ PLAU P00749 1/20 0.42
▸ PLAUR Q03405 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23668131 1.00 ROCK2 (0.46) ROCK2CYP3A4HDAC8AKT1AKT2
Hydrochloric Acid SCHEMBL21808524 0.99 HDAC8 (0.46) ROCK2CYP3A4HDAC8AKT1AKT2
Hydrochloric Acid SCHEMBL23668153 0.99 HDAC8 (0.46) ROCK2CYP3A4HDAC8AKT1AKT2
SCHEMBL23668142 0.90 P2RY12 (0.43) P2RY12
SCHEMBL23668144 0.90 P2RY12 (0.43) P2RY12
SCHEMBL21808188 0.89 P2RY12 (0.42) P2RY12MAPT
Hydrochloric Acid SCHEMBL21808465 0.89 P2RY12 (0.42) P2RY12
SCHEMBL23668137 0.89 P2RY12 (0.42) P2RY12MAPT
Hydrochloric Acid SCHEMBL23668166 0.88 P2RY12 (0.42) P2RY12MAPT
SCHEMBL23668151 0.88 P2RY12 (0.46) PLAUPLAURP2RY12

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
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
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

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 ROCK2 3172/4885CYP3A4 939/4885HDAC8 197/4885
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE SMN1; SMN2, NLN, EDNRA ROCK2 3172/4885CYP3A4 939/4885HDAC8 197/4885

“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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