SCHEMBL2182852

SCHEMBL2182852

[c]1cccc(N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.59
HTR3E A5X5Y0 5/20 0.59
HTR3B O95264 5/20 0.59
HTR3A P46098 5/20 0.59
HTR3D Q70Z44 5/20 0.59
HTR3C Q8WXA8 5/20 0.59
SIGMAR1 Q99720 5/20 0.59
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
HTR2C P28335 3/20 0.49
THRB P10828 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL28815787 0.89 ADRB1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3606736 0.82 L3MBTL1 (0.37) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL541280 0.82 L3MBTL1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2182292 0.81 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1443053 0.80 LMNA (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL160644 0.80 PRMT6 (0.42) THRBTP53HTTALDH1A1MAPT
SCHEMBL6901490 0.79 CHRNB2 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4337043 0.78 HTR7 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4321625 0.77 SIGMAR1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3603374 0.77 LGMN (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103023-A2 12-LIPOXYGENASE INHIBITORS FOR THE TREATMENT OF LUPUS VERALOX THERAPEUTICS (US) 2024-05-16 WO claimed
WO-2024019959-A1 COMPOSITIONS FOR MODULATING LIPOXYGENASE AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 WO claimed
EP-3054936-B1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2023-10-18 EP claimed
US-20200392077-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-17 US claimed
CN-107441100-B Compounds for treating ischemia reperfusion injury 武汉惠康达科技有限公司 2020-08-28 CN claimed
US-10752581-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase EASTERN VIRGINIA MEDICAL SCHOOL (US) 2020-08-25 US claimed
US-20190276395-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-09-12 US claimed
US-10266488-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase EASTERN VIRGINIA MEDICAL SCHOOL (US) 2019-04-23 US claimed
US-20170001955-A1 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide Derivatives as Potent and Selective Inhibitors of 12-Lipoxygenase THOMAS JEFFERSON UNIVERSITY 2017-01-05 US claimed
EP-3054936-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS Eastern Virginia Medical School (US) 2016-08-17 EP claimed
WO-2015054662-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2015-04-16 WO claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10266488-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase ALOX12, ALOX15, ALOX15B ADRB1 1403/4885HTR3E 57/4885HTR3B 86/4885
US-20200392077-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE ALOX12, ALOX15, ALOX15B ADRB1 1403/4885HTR3E 57/4885HTR3B 86/4885
US-20190276395-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE ALOX12, ALOX15, ALOX15B ADRB1 1403/4885HTR3E 57/4885HTR3B 86/4885
US-10752581-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase ALOX12, ALOX15, ALOX15B ADRB1 1403/4885HTR3E 57/4885HTR3B 86/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ADRB1 996/4885HTR3E 2475/4885HTR3B 2379/4885
US-20170001955-A1 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide Derivatives as Potent and Selective Inhibitors of 12-Lipoxygenase ALOX12, ALOX15, ALOX15B ADRB1 1403/4885HTR3E 57/4885HTR3B 86/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ADRB1 922/4885HTR3E 1458/4885HTR3B 1645/4885

“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.