SCHEMBL540480

SCHEMBL540480

[C]1COc2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 3/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
OXTR P30559 1/20 0.32
KEAP1 Q14145 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL7627453 0.66 ABCG2 (0.55) ABCG2ITGB2ICAM1ITGALGAA
SCHEMBL6959135 0.65 ABCG2 (0.62) ALOX5ABCG2ITGB2ICAM1ITGAL
SCHEMBL335978 0.65
SCHEMBL20068 0.65
SCHEMBL27872 0.65
SCHEMBL5460351 0.65
SCHEMBL10095220 0.65 ALOX5 (0.48) ALOX5ABCG2ITGB2ICAM1ITGAL
SCHEMBL3412422 0.64 ABCG2 (0.52) ALOX5ABCG2ITGB2ICAM1ITGAL
SCHEMBL154513 0.62 ALOX5 (0.39) ALOX5GAANPSR1
SCHEMBL56313 0.62 GAA (0.55) ALOX5ABCG2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108601-B Glycosidase inhibitors 阿森纽荣股份公司 2021-08-20 CN disclosed
CN-110770226-A Sulfoximine glycosidase inhibitors 阿森纽荣股份公司 2020-02-07 CN disclosed
US-10227295-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-28 US disclosed
US-9751832-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-09-05 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
EP-2155643-B1 IRE-1A INHIBITORS MANNKIND CORP (US) 2016-08-10 EP disclosed
EP-2520561-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-11-07 EP disclosed
EP-2414322-A2 POLYAMINE DERIVATIVES Egen, Inc. (US) 2012-02-08 EP disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
EP-2155643-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2010-02-24 EP disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
WO-2008154484-A1 IRE-1A INHIBITORS MANNKIND CORPORATION (US) 2008-12-18 WO disclosed
EP-1027347-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 2000-08-16 EP disclosed
WO-1999023092-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 1999-05-14 WO disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ALOX5 4692/4885ABCG2 2312/4885ITGB2 4664/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ALOX5 4692/4885ABCG2 2312/4885ITGB2 4664/4885
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 ALOX5 3360/4885ABCG2 4271/4885ITGB2 2708/4885
US-10227295-B2 Selective histone deactylase 6 inhibitors HDAC1, HDAC5, HDAC11 ALOX5 3360/4885ABCG2 4271/4885ITGB2 2708/4885

“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.