SCHEMBL7547818

SCHEMBL7547818

O=C1c2ccccc2C(=O)N1c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
NR1H3 Q13133 2/20 0.57
SCN2A Q99250 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GRM5 P41594 1/20 0.51
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HSPA1A P0DMV8 1/20 0.47
PABPC1 P11940 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29841157 1.00 MGLL (0.61) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL30368482 1.00 MGLL (0.61) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL725608 0.86 NR1H3 (0.67) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL19317166 0.84 MEN1 (0.52) NR1H3SCN2AMEN1KMT2AESR1
SCHEMBL9453237 0.83 KDM4E (0.52) MGLLMEN1KMT2AESR1ESR2
SCHEMBL9453234 0.83 MGLL (0.51) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL8588168 0.80 ESR1 (0.54) NR1H3SCN2AMEN1KMT2AGRM5
SCHEMBL29644720 0.80 MGLL (0.56) MGLLNR1H3MEN1KMT2ANR1H2
SCHEMBL29644719 0.80 MGLL (0.56) MGLLNR1H3MEN1KMT2ANR1H2
SCHEMBL19707567 0.80 MGLL (0.66) MGLLMEN1KMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-05-30 US disclosed
CN-117355303-A Compounds and their use for the treatment of neurodegenerative, degenerative and metabolic disorders 佛罗里达大学研究基金会公司 2024-01-05 CN disclosed
EP-4284372-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS University of Florida Research Foundation, Incorporated (US) 2023-12-06 EP disclosed
CN-115996755-A Bifunctional molecules and methods of use thereof 旗舰创业创新VI有限责任公司 2023-04-21 CN disclosed
WO-2022165173-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-08-04 WO disclosed
US-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-09-07 US disclosed
US-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-09-07 US disclosed
CN-1150195-C Bicyclic nitrogen heterocycles - 2004-05-19 CN disclosed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
CN-1324360-A Bicyclic nitrogen heterocycles HOFFMANN LA ROCHE (CH) 2001-11-28 CN disclosed
US-6310102-B1 OXY OR HYDROXY OR NITRO SUBSTITUTED PHENYLALKYLENE AMINE DERIVATIVE USED FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER CHARACTERIZED BY AN ALTERATION IN NORMAL NEUROTRANSMITTER RELEASE TARGACEPT, INC. 2001-10-30 US disclosed
US-6262124-B1 FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS TARGACEPT, INC., A CORPORATION OF DELAWARE 2001-07-17 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed
US-5284851-A Controlling insects, arachnids and nematodes BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 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 (2 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-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, YAP1, OR51E2 MGLL 1583/4885NR1H3 131/4885SCN2A 2157/4885
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS NLN, OAT, PC MGLL 1353/4885NR1H3 376/4885SCN2A 3855/4885

“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.