SCHEMBL7422950

SCHEMBL7422950

CCOC(=O)COc1ncccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ABCB1 P08183 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN1 P18031 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.43
ITGA4 P13612 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6641775 0.86 USP2 (0.45) ALDH1A1USP2SMN1; SMN2KDM4EABCB1
SCHEMBL23424898 0.83 ALDH1A1 (0.48) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL17434668 0.82 ALDH1A1 (0.50) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL5593086 0.82 KDM4E (0.47) ALDH1A1USP2SMN1; SMN2KDM4ETSHR
SCHEMBL23361684 0.81 POLB (0.62) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL23361476 0.81 SSTR4 (0.46) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL6635706 0.81 KDM4E (0.46) ALDH1A1USP2SMN1; SMN2KDM4ETSHR
SCHEMBL18311966 0.81 ALDH1A1 (0.52) ALDH1A1USP2SMN1; SMN2KDM4ETSHR
SCHEMBL23331253 0.80 USP2 (0.54) ALDH1A1USP2SMN1; SMN2KDM4EABCB1
Hydrochloric Acid SCHEMBL7417605 0.80 POLB (0.60) ALDH1A1SMN1; SMN2KDM4EGAALMNA

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-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 EP disclosed
WO-1995011029-A1 COMBINATION OF BISPHOSPHONATES AND GROWTH HORMONE SECRETAGOGUES MERCK & CO., INC. (US) 1995-04-27 WO disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 ALDH1A1 1140/4885USP2 3165/4885SMN1; SMN2 4328/4885

“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.