SCHEMBL16067092

SCHEMBL16067092

COC1=C(OC)C(=O)C(Cc2cccnc2)=C(C)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.68
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AVPR2 P30518 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTR2B P41595 1/20 0.40

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
SCHEMBL29747247 0.84 TBXAS1 (0.75) TBXAS1HRH4HRH3TDP1CYP2D6
SCHEMBL2715544 0.84 TBXAS1 (0.75) TBXAS1HRH4HRH3TDP1CYP2D6
Hydrochloric Acid SCHEMBL594558 0.83 TBXAS1 (0.73) TBXAS1HRH4HRH3TDP1CYP2D6
SCHEMBL5710686 0.81 TRAP1 (0.51) TBXAS1IDO1MAPTTDP1ALDH1A1
SCHEMBL24844947 0.81 TBXAS1 (1.00) TBXAS1MAPTTDP1ALDH1A1PKM
SCHEMBL6097833 0.79 LRRK2 (0.45) TBXAS1LMNA
SCHEMBL5859170 0.77 TBXAS1 (0.45) TBXAS1ALDH1A1LMNACYP2C9HTT
SCHEMBL5859335 0.77 TBXAS1 (0.45) TBXAS1ALDH1A1LMNACYP2C9MAPK1
SCHEMBL6097042 0.74 KDM4E (0.48) MAPTTDP1ALDH1A1PKMLMNA
SCHEMBL6094593 0.74 KCNMA1 (0.52) MAPTTDP1ALDH1A1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 — — US disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 — — US disclosed
WO-2014145116-A2 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 TBXAS1 826/4885HRH4 3981/4885HRH3 4189/4885
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 TBXAS1 826/4885HRH4 3981/4885HRH3 4189/4885

“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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