SCHEMBL519633

SCHEMBL519633

O=[N+]([O-])c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.91
PTGS2 P35354 3/20 0.91
PTGS1 P23219 2/20 0.91
KDM4E B2RXH2 2/20 0.84
ALDH1A1 P00352 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
HRH3 Q9Y5N1 5/20 0.81
MAPT P10636 1/20 0.67
KCNH2 Q12809 1/20 0.58
PSMB1 P20618 3/20 0.58
PSMB5 P28074 3/20 0.58
PSMB2 P49721 2/20 0.58

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
SCHEMBL4992188 0.98 LTA4H (0.89) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL4453239 0.92 HRH3 (0.89) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL21814264 0.91 HRH3 (0.86) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL491607 0.91 HRH3 (0.86) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL5856034 0.90 HRH3 (0.84) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL490968 0.90 HRH3 (1.00) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL4994427 0.90 HRH3 (0.94) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL5857282 0.88 HRH3 (0.97) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL520019 0.88 LTA4H (0.72) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL519451 0.87 LTA4H (0.71) LTA4HPTGS2PTGS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176195-A Pyrazolo [3,4-d ] pyrimidine-3-ketone compound and medical application thereof 正大天晴药业集团股份有限公司 2024-06-11 CN disclosed
CN-113754591-B HDAC, JAK and BET three-target inhibitor and preparation method and application thereof 山东大学 2024-01-05 CN disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
EP-3755696-B1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2023-04-05 EP disclosed
US-20220402921-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2022-12-22 US disclosed
CN-113754591-A HDAC, JAK and BET three-target inhibitor and preparation method and application thereof 山东大学 2021-12-07 CN disclosed
US-10934297-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2021-03-02 US disclosed
EP-3755696-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF Samumed, LLC (US) 2020-12-30 EP disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
EP-0997460-B1 Benzothiophene compounds as antithrombotic agents and intermediates LILLY CO ELI (US) 2002-12-11 EP disclosed
US-6133262-A 3-AMINOBENZO(B)THIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0997460-A1 Benzothiophene compounds as antithrombotic agents and intermediates ELI LILLY AND COMPANY (US) 2000-05-03 EP 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 (6 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-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 LTA4H 4513/4885PTGS2 1351/4885PTGS1 1345/4885
US-10934297-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 LTA4H 3768/4885PTGS2 3195/4885PTGS1 2888/4885
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 LTA4H 3768/4885PTGS2 3195/4885PTGS1 2888/4885
US-20220402921-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, DYRK3 LTA4H 3768/4885PTGS2 3195/4885PTGS1 2888/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 LTA4H 2159/4885PTGS2 2947/4885PTGS1 1969/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 LTA4H 4513/4885PTGS2 1351/4885PTGS1 1345/4885

“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.