Sugi Predict

Sugi Predict / Compounds / SCHEMBL4523055

SCHEMBL4523055

SCHEMBL4523055

NC(c1ccccc1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.50
▸ DPP4 P27487 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ RECQL P46063 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
Hydrochloric Acid SCHEMBL4523556 0.98 CYP2C19 (0.49) CYP2C19DPP4F2L3MBTL1POLB
SCHEMBL4021049 0.83 KMT2A (0.44) CYP2C19L3MBTL1POLBPKMPTPN1
SCHEMBL24621170 0.77 CFTR (0.44) CYP2C19POLBALDH1A1HPGDHSD17B10
SCHEMBL4069554 0.77 IDO1 (0.41) CYP2C19L3MBTL1POLBPKMPTPN1
SCHEMBL1934617 0.76 CYP2C19 (0.48) CYP2C19L3MBTL1POLBPKMPTPN1
SCHEMBL8627683 0.76 CYP2C19 (0.48) CYP2C19L3MBTL1POLBPKMPTPN1
SCHEMBL3817995 0.74 CYP2C19 (0.47) CYP2C19L3MBTL1POLBPKMPTPN1
Aminodiphenylmethane SCHEMBL7841 0.74 DPP4 (0.65) DPP4F2
SCHEMBL3907867 0.74 CYP2C19 (0.61) CYP2C19L3MBTL1POLBKMT2AALDH1A1
SCHEMBL3678578 0.73 — —

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 — — EP claimed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 — — WO claimed
CN-114380753-A Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof 中国医学科学院药物研究所 2022-04-22 — — CN disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 — — EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 — — US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 — — US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US 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 (4 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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 CYP2C19 2978/4885DPP4 2687/4885F2 1379/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 CYP2C19 2978/4885DPP4 2687/4885F2 1379/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 CYP2C19 738/4885DPP4 2617/4885F2 840/4885
US-20090054445-A1 Amide Substituted Quinolines RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 CYP2C19 147/4885DPP4 2245/4885F2 557/4885

“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.