Bromoethanamine

Bromoethanamine

SCHEMBL110254

NCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
CYP3A4 P08684 1/20 0.60
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
TAAR1 Q96RJ0 4/20 0.39
HTR2A P28223 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 2/20 0.36
MAOA P21397 1/20 0.34
HTR6 P50406 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL20705055 0.89 TDP1 (0.52) TDP1CYP3A4ESR1ESR2TAAR1
1,2-Dibromoethane SCHEMBL28837174 0.87 TDP1 (0.71) TDP1CYP3A4ESR1ESR2SMN1; SMN2
SCHEMBL14992059 0.85 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2HTR2A
SCHEMBL17501902 0.85 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2HTR2A
SCHEMBL18729718 0.85 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2HTR2A
Dibromomethane SCHEMBL7950072 0.84 TDP1 (0.75) TDP1CYP3A4ESR1ESR2SMN1; SMN2
Dibromomethane SCHEMBL5329477 0.84 TDP1 (0.75) TDP1CYP3A4ESR1ESR2SMN1; SMN2
SCHEMBL319391 0.82 TDP1 (0.63) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5453551 0.82 TDP1 (0.63) TDP1CYP3A4ESR1ESR2KDM4E
N-Propyl Bromide SCHEMBL1400032 0.80 TDP1 (0.60) TDP1CYP3A4ESR1ESR2SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234800-A Copper complexes for the treatment of neurodegenerative disorders ALS治疗发展学会 2023-06-06 CN disclosed
CN-115006527-B Mitochondrion targeting photosensitizer and preparation method and application thereof 苏州大学 2023-03-17 CN disclosed
CN-115006527-A Mitochondrion targeting photosensitizer and preparation method and application thereof 苏州大学 2022-09-06 CN disclosed
US-11274114-B2 Modified mito-metformin compounds and methods of synthesis and use thereof THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2022-03-15 US disclosed
US-10576093-B2 Neuroprotection by mitochondria-targeted metformin IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-03-03 US disclosed
EP-3558282-A1 SYNERGISTIC INIHIBITION OF TUMOR CELL PROLIFERATION INDUCED BY COMBINED TREATMENT OF METFORMIN COMPOUNDS AND IRON CHELATORS The Medical College of Wisconsin, Inc. (US) 2019-10-30 EP disclosed
EP-3179994-B1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF MEDICAL COLLEGE WISCONSIN INC (US) 2019-04-24 EP disclosed
US-20190091245-A1 Neuroprotection by mitochondria-targeted metformin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
WO-2018119207-A1 SYNERGISTIC INIHIBITION OF TUMOR CELL PROLIFERATION INDUCED BY COMBINED TREATMENT OF METFORMIN COMPOUNDS AND IRON CHELATORS THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2018-06-28 WO disclosed
US-9956233-B2 Neuroprotection by mitochondria-targeted metformin IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-20170275313-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. 2017-09-28 US disclosed
EP-3179994-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF The Medical College of Wisconsin, Inc. (US) 2017-06-21 EP disclosed
EP-2424872-B1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MEDICAL COLLEGE OF WISCONSIN INC (US) 2017-05-17 EP disclosed
US-20170106006-A1 Neuroprotection by Mitochondria-Targeted Metformin AIX-MARSEILLE UNIVERSITE (FR) 2017-04-20 US disclosed
WO-2016025725-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2016-02-18 WO disclosed
US-8962600-B2 Neuroprotective compounds and their use THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2015-02-24 US disclosed
US-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-03 US disclosed
EP-2424872-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE The MCW Research Foundation, Inc. (US) 2012-03-07 EP disclosed
WO-2010126719-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MCW RESEARCH FOUNDATION, INC. (US) 2010-11-04 WO disclosed
US-20090281330-A1 Nitrons Carrying a Positive Charge and Usable in Trapping Free Radicals, Especially the Superoxide Radical TORDO PAUL 2009-11-12 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 (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-11274114-B2 Modified mito-metformin compounds and methods of synthesis and use thereof TFAM, MFN2, MT-ND5 TDP1 1595/4885CYP3A4 345/4885ESR1 2956/4885
US-20170275313-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF TFAM, MFN2, MT-ND5 TDP1 1595/4885CYP3A4 345/4885ESR1 2956/4885
US-20090281330-A1 Nitrons Carrying a Positive Charge and Usable in Trapping Free Radicals, Especially the Superoxide Radical SOD1, TXN2, NOX1 TDP1 1248/4885CYP3A4 1055/4885ESR1 698/4885
US-20170106006-A1 Neuroprotection by Mitochondria-Targeted Metformin NLN, MFN2, TFAM TDP1 506/4885CYP3A4 3967/4885ESR1 4405/4885
US-10576093-B2 Neuroprotection by mitochondria-targeted metformin NLN, MFN2, TFAM TDP1 506/4885CYP3A4 3967/4885ESR1 4405/4885
US-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NLN, ATP6V1B2, BDNF TDP1 592/4885CYP3A4 2747/4885ESR1 4351/4885
US-20190091245-A1 Neuroprotection by mitochondria-targeted metformin NLN, MFN2, TFAM TDP1 506/4885CYP3A4 3967/4885ESR1 4405/4885

“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.