SCHEMBL2052030

SCHEMBL2052030

COC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.79
CREBBP Q92793 1/20 0.79
CFTR P13569 7/20 0.60
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB2 P47870 1/20 0.57
PBRM1 Q86U86 1/20 0.56
RAB9A P51151 1/20 0.54
GPR84 Q9NQS5 1/20 0.54

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
SCHEMBL29696613 1.00 NR4A2 (0.79) NR4A2CREBBPCFTRHTR3EHTR3B
SCHEMBL30031033 0.88 NR4A2 (1.00) NR4A2CREBBPPBRM1RAB9AGPR84
SCHEMBL1093530 0.88 NR4A2 (1.00) NR4A2CREBBPPBRM1RAB9AGPR84
SCHEMBL7515095 0.88 NR4A2 (0.60) NR4A2CREBBPCFTRHTR3EHTR3B
Hydrochloric Acid SCHEMBL28254334 0.87 NR4A2 (0.97) NR4A2CREBBPPBRM1RAB9AGPR84
SCHEMBL28306489 0.84 NR4A2 (0.56) NR4A2CREBBPCFTRHTR3EHTR3B
SCHEMBL376662 0.83 GABRA1 (0.69) CFTRGABRA1GABRB2
SCHEMBL29475801 0.83 GABRA1 (0.69) CFTRGABRA1GABRB2
Hydrochloric Acid SCHEMBL29008098 0.82 GABRA1 (0.67) CFTRGABRA1GABRB2
Hydrochloric Acid SCHEMBL30417898 0.82 GABRA1 (0.67) CFTRGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263794-A1 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-24 US disclosed
CN-111533729-B Tetrazole-substituted quinolinone derivative and preparation method and application thereof 盐城工学院 2022-07-26 CN disclosed
CN-111533729-A Tetrazole-substituted quinolinone derivative and preparation method and application thereof 盐城工学院 2020-08-14 CN disclosed
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 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 (1 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-20230263794-A1 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, CYP3A4 NR4A2 581/4885CREBBP 3474/4885CFTR 1049/4885

“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.